2-fluoro-1-(3-fluoro-4-methoxyphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;fluoromethane

C27H29F3O — CID 123561678

IUPAC2-fluoro-1-(3-fluoro-4-methoxyphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;fluoromethane
SMILESCF.COc1ccc(-c2ccc(-c3ccc(C4CCC(C)CC4)cc3)cc2F)cc1F
InChIInChI=1S/C26H26F2O.CH3F/c1-17-3-5-18(6-4-17)19-7-9-20(10-8-19)21-11-13-23(24(27)15-21)22-12-14-26(29-2)25(28)16-22;1-2/h7-18H,3-6H2,1-2H3;1H3
InChIKeyNQQNYOLIHULDEB-UHFFFAOYSA-N
MW426.52 g/mol
LogP8.19
Rot. Bonds4

About 2-fluoro-1-(3-fluoro-4-methoxyphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;fluoromethane

2-fluoro-1-(3-fluoro-4-methoxyphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;fluoromethane (PubChem CID 123561678) has the molecular formula C27H29F3O and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-fluoro-1-(3-fluoro-4-methoxyphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;fluoromethane.

Molecular Properties

Compound Name2-fluoro-1-(3-fluoro-4-methoxyphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;fluoromethane
PubChem CID123561678
Molecular FormulaC27H29F3O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name2-fluoro-1-(3-fluoro-4-methoxyphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;fluoromethane
SMILESCF.COc1ccc(-c2ccc(-c3ccc(C4CCC(C)CC4)cc3)cc2F)cc1F
InChIInChI=1S/C26H26F2O.CH3F/c1-17-3-5-18(6-4-17)19-7-9-20(10-8-19)21-11-13-23(24(27)15-21)22-12-14-26(29-2)25(28)16-22;1-2/h7-18H,3-6H2,1-2H3;1H3
InChIKeyNQQNYOLIHULDEB-UHFFFAOYSA-N
XLogP8.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 144809449
2-[4-(3-fluoro-4-methoxyphenyl)phenyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384938
2-fluoro-1-methoxy-4-[4-(4-methoxycyclohexyl)phenyl]benzene
CID 144809360
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(2-methylpropoxy)benzene
CID 144809398
1-[4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylcycloheptane
CID 123946617
S-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]phenyl]thiohydroxylamine
CID 145312714
1-(4-ethynylphenyl)-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 89374985
2,3-difluoro-1-(3-fluoro-4-methoxyphenyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 158933445
2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-methylbenzene;bis(1-methyl-4-(4-methylcyclohexyl)benzene);bis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);bis(1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);1-methyl-4-(4-methylphenyl)benzene;molecular hydrogen
CID 160558851
1,2-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen
CID 159316188
2,6-difluoro-4-[2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]aniline
CID 142540997
1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 22886833

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(3-fluoro-4-methoxyphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;fluoromethane?
The IUPAC name of 2-fluoro-1-(3-fluoro-4-methoxyphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;fluoromethane (CID 123561678) is 2-fluoro-1-(3-fluoro-4-methoxyphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;fluoromethane.
What is the SMILES notation for 2-fluoro-1-(3-fluoro-4-methoxyphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;fluoromethane?
The canonical SMILES for 2-fluoro-1-(3-fluoro-4-methoxyphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;fluoromethane is CF.COc1ccc(-c2ccc(-c3ccc(C4CCC(C)CC4)cc3)cc2F)cc1F.
What is the InChIKey of 2-fluoro-1-(3-fluoro-4-methoxyphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;fluoromethane?
The InChIKey is NQQNYOLIHULDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2O.CH3F/c1-17-3-5-18(6-4-17)19-7-9-20(10-8-19)21-11-13-23(24(27)15-21)22-12-14-26(29-2)25(28)16-22;1-2/h7-18H,3-6H2,1-2H3;1H3.
What are the key properties of 2-fluoro-1-(3-fluoro-4-methoxyphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;fluoromethane?
2-fluoro-1-(3-fluoro-4-methoxyphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;fluoromethane has a molecular weight of 426.52 g/mol, XLogP of 8.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(3-fluoro-4-methoxyphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;fluoromethane is sourced from PubChem (CID 123561678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).