1-chloro-2-[5-(2-chloro-4-propan-2-ylphenyl)hexan-2-yl]-4-fluoro-5-propan-2-ylbenzene

C24H31Cl2F — CID 155383409

IUPAC1-chloro-2-[5-(2-chloro-4-propan-2-ylphenyl)hexan-2-yl]-4-fluoro-5-propan-2-ylbenzene
SMILESCC(C)c1ccc(C(C)CCC(C)c2cc(F)c(C(C)C)cc2Cl)c(Cl)c1
InChIInChI=1S/C24H31Cl2F/c1-14(2)18-9-10-19(22(25)11-18)16(5)7-8-17(6)21-13-24(27)20(15(3)4)12-23(21)26/h9-17H,7-8H2,1-6H3
InChIKeyOIMNYEXSOOKMBJ-UHFFFAOYSA-N
MW409.42 g/mol
LogP9.07
Rot. Bonds7

About 1-chloro-2-[5-(2-chloro-4-propan-2-ylphenyl)hexan-2-yl]-4-fluoro-5-propan-2-ylbenzene

1-chloro-2-[5-(2-chloro-4-propan-2-ylphenyl)hexan-2-yl]-4-fluoro-5-propan-2-ylbenzene (PubChem CID 155383409) has the molecular formula C24H31Cl2F and a molecular weight of 409.42 g/mol. Its IUPAC name is 1-chloro-2-[5-(2-chloro-4-propan-2-ylphenyl)hexan-2-yl]-4-fluoro-5-propan-2-ylbenzene.

Molecular Properties

Compound Name1-chloro-2-[5-(2-chloro-4-propan-2-ylphenyl)hexan-2-yl]-4-fluoro-5-propan-2-ylbenzene
PubChem CID155383409
Molecular FormulaC24H31Cl2F
Molecular Weight409.42 g/mol
Exact Mass408.18
IUPAC Name1-chloro-2-[5-(2-chloro-4-propan-2-ylphenyl)hexan-2-yl]-4-fluoro-5-propan-2-ylbenzene
SMILESCC(C)c1ccc(C(C)CCC(C)c2cc(F)c(C(C)C)cc2Cl)c(Cl)c1
InChIInChI=1S/C24H31Cl2F/c1-14(2)18-9-10-19(22(25)11-18)16(5)7-8-17(6)21-13-24(27)20(15(3)4)12-23(21)26/h9-17H,7-8H2,1-6H3
InChIKeyOIMNYEXSOOKMBJ-UHFFFAOYSA-N
XLogP9.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.42
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-difluoro-2-propan-2-yl-5-[5-(4-propan-2-ylphenyl)hexan-2-yl]benzene
CID 138643141
1,2-dichloro-4-[5-(4-chloro-2-fluorophenyl)hexan-2-yl]benzene
CID 170404987
1-[5-(2,6-difluoro-4-propan-2-ylphenyl)hexan-2-yl]-2,5-difluoro-4-propan-2-ylbenzene
CID 139298385
1,2-dichloro-4-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene
CID 158586439
1-chloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene
CID 158524706
1,3-difluoro-2,5-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene
CID 157344584
2-chloro-1,4-di(propan-2-yl)benzene;1-chloro-3-fluoro-2,5-di(propan-2-yl)benzene;1,3-difluoro-2,5-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene;methane;bis(2-methyl-1,4-di(propan-2-yl)benzene)
CID 163434511
2-[2-chloro-4-(difluoromethyl)phenyl]propan-1-amine
CID 117313656
(3R)-3-(2,4-dichlorophenyl)butan-1-amine
CID 95914063
1-(2-fluoro-4-propan-2-ylphenyl)ethanamine
CID 131378718
2-chloro-4-fluoro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene
CID 142425604
1-chloro-2-[1-(2-chloro-4-fluorophenyl)ethyl]-4-propan-2-ylbenzene
CID 170073168

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[5-(2-chloro-4-propan-2-ylphenyl)hexan-2-yl]-4-fluoro-5-propan-2-ylbenzene?
The IUPAC name of 1-chloro-2-[5-(2-chloro-4-propan-2-ylphenyl)hexan-2-yl]-4-fluoro-5-propan-2-ylbenzene (CID 155383409) is 1-chloro-2-[5-(2-chloro-4-propan-2-ylphenyl)hexan-2-yl]-4-fluoro-5-propan-2-ylbenzene.
What is the SMILES notation for 1-chloro-2-[5-(2-chloro-4-propan-2-ylphenyl)hexan-2-yl]-4-fluoro-5-propan-2-ylbenzene?
The canonical SMILES for 1-chloro-2-[5-(2-chloro-4-propan-2-ylphenyl)hexan-2-yl]-4-fluoro-5-propan-2-ylbenzene is CC(C)c1ccc(C(C)CCC(C)c2cc(F)c(C(C)C)cc2Cl)c(Cl)c1.
What is the InChIKey of 1-chloro-2-[5-(2-chloro-4-propan-2-ylphenyl)hexan-2-yl]-4-fluoro-5-propan-2-ylbenzene?
The InChIKey is OIMNYEXSOOKMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31Cl2F/c1-14(2)18-9-10-19(22(25)11-18)16(5)7-8-17(6)21-13-24(27)20(15(3)4)12-23(21)26/h9-17H,7-8H2,1-6H3.
What are the key properties of 1-chloro-2-[5-(2-chloro-4-propan-2-ylphenyl)hexan-2-yl]-4-fluoro-5-propan-2-ylbenzene?
1-chloro-2-[5-(2-chloro-4-propan-2-ylphenyl)hexan-2-yl]-4-fluoro-5-propan-2-ylbenzene has a molecular weight of 409.42 g/mol, XLogP of 9.07, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[5-(2-chloro-4-propan-2-ylphenyl)hexan-2-yl]-4-fluoro-5-propan-2-ylbenzene is sourced from PubChem (CID 155383409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).