1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene

C57H70F8 — CID 144841355

IUPAC1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene
SMILESCC1CCC(C2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1.CC1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1.CC1CCC(c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1
InChIInChI=1S/C19H25F3.C19H19F3.C19H26F2/c2*1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-17(20)19(22)18(21)11-16;1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)17-10-11-18(20)19(21)12-17/h10-15H,2-9H2,1H3;6-13H,2-5H2,1H3;10-16H,2-9H2,1H3
InChIKeyIFVBTWZCDUYGQY-UHFFFAOYSA-N
MW907.17 g/mol
LogP18.33
Rot. Bonds6

About 1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene

1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene (PubChem CID 144841355) has the molecular formula C57H70F8 and a molecular weight of 907.17 g/mol. Its IUPAC name is 1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene
PubChem CID144841355
Molecular FormulaC57H70F8
Molecular Weight907.17 g/mol
Exact Mass906.53
IUPAC Name1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene
SMILESCC1CCC(C2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1.CC1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1.CC1CCC(c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1
InChIInChI=1S/C19H25F3.C19H19F3.C19H26F2/c2*1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-17(20)19(22)18(21)11-16;1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)17-10-11-18(20)19(21)12-17/h10-15H,2-9H2,1H3;6-13H,2-5H2,1H3;10-16H,2-9H2,1H3
InChIKeyIFVBTWZCDUYGQY-UHFFFAOYSA-N
XLogP18.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.17
LogP ≤ 518.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene with MolForge

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Related Compounds

1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 157263040
1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 22886833
1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;molecular hydrogen;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 161374857
1-fluoro-2,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 143209910
1,2-difluoro-4-(4-methylcyclohexyl)benzene;1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]-2-(trifluoromethoxy)benzene;1,2-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene;molecular hydrogen;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene
CID 158318765
4-[4-(4-cyclohexylcyclohexyl)phenyl]-1,2-difluorobenzene
CID 134241732
1,2-difluoro-4-(4-methylcyclohexyl)benzene;2,6-difluoro-4-(4-methylcyclohexyl)benzonitrile;1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;2-fluoro-4-(4-methylcyclohexyl)benzonitrile;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;4-(4-methylcyclohexyl)benzonitrile;4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;1,2,3-trifluoro-5-(4-methylcyclohexyl)benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 158597193
1,2-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen
CID 159316188
1,2,3-trifluoro-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]benzene
CID 20596680
1-fluoro-2-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 23574055
1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;ethane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;[2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phosphane
CID 143239765
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene?
The IUPAC name of 1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene (CID 144841355) is 1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene?
The canonical SMILES for 1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene is CC1CCC(C2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1.CC1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1.CC1CCC(c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1.
What is the InChIKey of 1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene?
The InChIKey is IFVBTWZCDUYGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3.C19H19F3.C19H26F2/c2*1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-17(20)19(22)18(21)11-16;1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)17-10-11-18(20)19(21)12-17/h10-15H,2-9H2,1H3;6-13H,2-5H2,1H3;10-16H,2-9H2,1H3.
What are the key properties of 1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene?
1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene has a molecular weight of 907.17 g/mol, XLogP of 18.33, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 144841355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).