1,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene

C20H19F5 — CID 155471466

IUPAC1,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene
SMILESCC1CCC(c2ccc(-c3ccc(F)c(C(F)(F)F)c3F)cc2)CC1
InChIInChI=1S/C20H19F5/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-11-17(21)18(19(16)22)20(23,24)25/h6-13H,2-5H2,1H3
InChIKeyAMTBXOZWMUFSRI-UHFFFAOYSA-N
MW354.36 g/mol
LogP6.94
Rot. Bonds2

About 1,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene

1,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene (PubChem CID 155471466) has the molecular formula C20H19F5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 1,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene
PubChem CID155471466
Molecular FormulaC20H19F5
Molecular Weight354.36 g/mol
Exact Mass354.14
IUPAC Name1,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene
SMILESCC1CCC(c2ccc(-c3ccc(F)c(C(F)(F)F)c3F)cc2)CC1
InChIInChI=1S/C20H19F5/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-11-17(21)18(19(16)22)20(23,24)25/h6-13H,2-5H2,1H3
InChIKeyAMTBXOZWMUFSRI-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.36
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]-2,3-bis(trifluoromethyl)benzene
CID 154519551
1-ethoxy-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-3-(trifluoromethyl)benzene
CID 143115064
1-(4-cyclohexylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 126693080
1-(4-tert-butylphenyl)-2,3-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene
CID 91439286
1,3-difluoro-5-[2-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]ethyl]-2-(trifluoromethyl)benzene
CID 162555993
3-fluoro-1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene
CID 58953489
1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 157263040
2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-prop-2-enylphenyl)benzene
CID 59791157
2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-[2-(3,4,5-trifluorophenyl)ethyl]benzene
CID 118858786
2-(3,4-difluorophenyl)-1-fluoro-6-(4-methylcyclohexyl)naphthalene
CID 71106738
5-[difluoro-[4-[2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]phenyl]methoxy]-1,2,3-trifluorobenzene
CID 145464058
2,3-difluoro-1,4-bis(4-methylphenyl)benzene;2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-(4-methylphenyl)benzene;bis(2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-[4-(4-methylphenyl)phenyl]benzene);2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methylbenzene;2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-methylphenyl)benzene;2,3-difluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-methylbenzene
CID 158478579

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene?
The IUPAC name of 1,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene (CID 155471466) is 1,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene?
The canonical SMILES for 1,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene is CC1CCC(c2ccc(-c3ccc(F)c(C(F)(F)F)c3F)cc2)CC1.
What is the InChIKey of 1,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene?
The InChIKey is AMTBXOZWMUFSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F5/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-11-17(21)18(19(16)22)20(23,24)25/h6-13H,2-5H2,1H3.
What are the key properties of 1,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene?
1,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene has a molecular weight of 354.36 g/mol, XLogP of 6.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 155471466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).