2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;bis(1-(2-methylpropyl)-3-(trifluoromethyl)benzene);1-(2-methylpropyl)-4-(trifluoromethyl)benzene

C125H161Cl2F16N — CID 157326941

IUPAC2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;bis(1-(2-methylpropyl)-3-(trifluoromethyl)benzene);1-(2-methylpropyl)-4-(trifluoromethyl)benzene
SMILESCC(C)CCc1ccccc1.CC(C)Cc1ccc(C(F)(F)F)cc1.CC(C)Cc1ccc(Cl)cc1.CC(C)Cc1ccc(F)c(Cl)c1.CC(C)Cc1ccc(F)c(F)c1.CC(C)Cc1ccc(F)cc1.CC(C)Cc1ccc(F)cn1.CC(C)Cc1cccc(C(F)(F)F)c1.CC(C)Cc1cccc(C(F)(F)F)c1.CC(C)Cc1cccc(F)c1.Cc1cc(CC(C)C)ccc1F.Cc1cccc(CC(C)C)c1
InChIInChI=1S/3C11H13F3.C11H15F.2C11H16.C10H12ClF.C10H13Cl.C10H12F2.2C10H13F.C9H12FN/c1-8(2)7-9-3-5-10(6-4-9)11(12,13)14;2*1-8(2)6-9-4-3-5-10(7-9)11(12,13)14;1-8(2)6-10-4-5-11(12)9(3)7-10;1-9(2)7-11-6-4-5-10(3)8-11;1-10(2)8-9-11-6-4-3-5-7-11;1-7(2)5-8-3-4-10(12)9(11)6-8;1-8(2)7-9-3-5-10(11)6-4-9;1-7(2)5-8-3-4-9(11)10(12)6-8;1-8(2)7-9-3-5-10(11)6-4-9;1-8(2)6-9-4-3-5-10(11)7-9;1-7(2)5-9-4-3-8(10)6-11-9/h3-6,8H,7H2,1-2H3;2*3-5,7-8H,6H2,1-2H3;4-5,7-8H,6H2,1-3H3;4-6,8-9H,7H2,1-3H3;3-7,10H,8-9H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-6,8H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3
InChIKeyBEVMVLOXMFLVHR-UHFFFAOYSA-N
MW2052.54 g/mol
LogP40.36
Rot. Bonds25

About 2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;bis(1-(2-methylpropyl)-3-(trifluoromethyl)benzene);1-(2-methylpropyl)-4-(trifluoromethyl)benzene

2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;bis(1-(2-methylpropyl)-3-(trifluoromethyl)benzene);1-(2-methylpropyl)-4-(trifluoromethyl)benzene (PubChem CID 157326941) has the molecular formula C125H161Cl2F16N and a molecular weight of 2052.54 g/mol. Its IUPAC name is 2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;bis(1-(2-methylpropyl)-3-(trifluoromethyl)benzene);1-(2-methylpropyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;bis(1-(2-methylpropyl)-3-(trifluoromethyl)benzene);1-(2-methylpropyl)-4-(trifluoromethyl)benzene
PubChem CID157326941
Molecular FormulaC125H161Cl2F16N
Molecular Weight2052.54 g/mol
Exact Mass2050.18
IUPAC Name2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;bis(1-(2-methylpropyl)-3-(trifluoromethyl)benzene);1-(2-methylpropyl)-4-(trifluoromethyl)benzene
SMILESCC(C)CCc1ccccc1.CC(C)Cc1ccc(C(F)(F)F)cc1.CC(C)Cc1ccc(Cl)cc1.CC(C)Cc1ccc(F)c(Cl)c1.CC(C)Cc1ccc(F)c(F)c1.CC(C)Cc1ccc(F)cc1.CC(C)Cc1ccc(F)cn1.CC(C)Cc1cccc(C(F)(F)F)c1.CC(C)Cc1cccc(C(F)(F)F)c1.CC(C)Cc1cccc(F)c1.Cc1cc(CC(C)C)ccc1F.Cc1cccc(CC(C)C)c1
InChIInChI=1S/3C11H13F3.C11H15F.2C11H16.C10H12ClF.C10H13Cl.C10H12F2.2C10H13F.C9H12FN/c1-8(2)7-9-3-5-10(6-4-9)11(12,13)14;2*1-8(2)6-9-4-3-5-10(7-9)11(12,13)14;1-8(2)6-10-4-5-11(12)9(3)7-10;1-9(2)7-11-6-4-5-10(3)8-11;1-10(2)8-9-11-6-4-3-5-7-11;1-7(2)5-8-3-4-10(12)9(11)6-8;1-8(2)7-9-3-5-10(11)6-4-9;1-7(2)5-8-3-4-9(11)10(12)6-8;1-8(2)7-9-3-5-10(11)6-4-9;1-8(2)6-9-4-3-5-10(11)7-9;1-7(2)5-9-4-3-8(10)6-11-9/h3-6,8H,7H2,1-2H3;2*3-5,7-8H,6H2,1-2H3;4-5,7-8H,6H2,1-3H3;4-6,8-9H,7H2,1-3H3;3-7,10H,8-9H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-6,8H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3
InChIKeyBEVMVLOXMFLVHR-UHFFFAOYSA-N
XLogP40.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002052.54
LogP ≤ 540.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;bis(1-(2-methylpropyl)-3-(trifluoromethyl)benzene);1-(2-methylpropyl)-4-(trifluoromethyl)benzene with MolForge

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Related Compounds

6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline
CID 118329957
2-[(Z)-2-(3-chlorophenyl)-1-phenylprop-1-enyl]pyridine
CID 12404178
2-[(E)-2-(3-chlorophenyl)-1-phenylprop-1-enyl]pyridine
CID 12404179
4,4'-(4''-(tert-Butyl)-4-chloro-6'-phenyl-5'-(4-(trifluoromethyl)phenyl)-[1,1':2',1''-terphenyl]-3',4'-diyl)dipyridine
CID 86341907
2-(4,4'-Di-tert-butyl-2'-(5-chloro-3-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908890
2-(4'-(Tert-butyl)-4-chloro-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-methylpyridine
CID 155908905
2-(4-Chlorophenyl)-5-(4-fluorophenyl)pyridine
CID 171920530
3-chloro-2-[(2R,3S)-5,5-difluoro-2,6-diphenyl-3,4-dihydro-2H-pyridin-3-yl]pyridine
CID 177850063
2-(4-tert-butylphenyl)-4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1-methyl-5-phenylpyridin-1-ium iodide
CID 177656012
2-(4-Chloro-3-fluorophenyl)-5-(4-propylcyclohexen-1-yl)pyridine
CID 15135238
2-(4-Chloro-3-fluorophenyl)-5-(4-propylphenyl)pyridine
CID 15135239
5-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-2-(4-chloro-3-fluorophenyl)pyridine
CID 18656607

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;bis(1-(2-methylpropyl)-3-(trifluoromethyl)benzene);1-(2-methylpropyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;bis(1-(2-methylpropyl)-3-(trifluoromethyl)benzene);1-(2-methylpropyl)-4-(trifluoromethyl)benzene (CID 157326941) is 2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;bis(1-(2-methylpropyl)-3-(trifluoromethyl)benzene);1-(2-methylpropyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;bis(1-(2-methylpropyl)-3-(trifluoromethyl)benzene);1-(2-methylpropyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;bis(1-(2-methylpropyl)-3-(trifluoromethyl)benzene);1-(2-methylpropyl)-4-(trifluoromethyl)benzene is CC(C)CCc1ccccc1.CC(C)Cc1ccc(C(F)(F)F)cc1.CC(C)Cc1ccc(Cl)cc1.CC(C)Cc1ccc(F)c(Cl)c1.CC(C)Cc1ccc(F)c(F)c1.CC(C)Cc1ccc(F)cc1.CC(C)Cc1ccc(F)cn1.CC(C)Cc1cccc(C(F)(F)F)c1.CC(C)Cc1cccc(C(F)(F)F)c1.CC(C)Cc1cccc(F)c1.Cc1cc(CC(C)C)ccc1F.Cc1cccc(CC(C)C)c1.
What is the InChIKey of 2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;bis(1-(2-methylpropyl)-3-(trifluoromethyl)benzene);1-(2-methylpropyl)-4-(trifluoromethyl)benzene?
The InChIKey is BEVMVLOXMFLVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H13F3.C11H15F.2C11H16.C10H12ClF.C10H13Cl.C10H12F2.2C10H13F.C9H12FN/c1-8(2)7-9-3-5-10(6-4-9)11(12,13)14;2*1-8(2)6-9-4-3-5-10(7-9)11(12,13)14;1-8(2)6-10-4-5-11(12)9(3)7-10;1-9(2)7-11-6-4-5-10(3)8-11;1-10(2)8-9-11-6-4-3-5-7-11;1-7(2)5-8-3-4-10(12)9(11)6-8;1-8(2)7-9-3-5-10(11)6-4-9;1-7(2)5-8-3-4-9(11)10(12)6-8;1-8(2)7-9-3-5-10(11)6-4-9;1-8(2)6-9-4-3-5-10(11)7-9;1-7(2)5-9-4-3-8(10)6-11-9/h3-6,8H,7H2,1-2H3;2*3-5,7-8H,6H2,1-2H3;4-5,7-8H,6H2,1-3H3;4-6,8-9H,7H2,1-3H3;3-7,10H,8-9H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-6,8H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3.
What are the key properties of 2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;bis(1-(2-methylpropyl)-3-(trifluoromethyl)benzene);1-(2-methylpropyl)-4-(trifluoromethyl)benzene?
2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;bis(1-(2-methylpropyl)-3-(trifluoromethyl)benzene);1-(2-methylpropyl)-4-(trifluoromethyl)benzene has a molecular weight of 2052.54 g/mol, XLogP of 40.36, 25 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;bis(1-(2-methylpropyl)-3-(trifluoromethyl)benzene);1-(2-methylpropyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 157326941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).