1,2-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen

C20H25F3 — CID 159316188

IUPAC1,2-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen
SMILESC.CC1CCC(c2ccc(-c3ccc(F)c(F)c3)c(F)c2)CC1.[H][H]
InChIInChI=1S/C19H19F3.CH4.H2/c1-12-2-4-13(5-3-12)14-6-8-16(18(21)10-14)15-7-9-17(20)19(22)11-15;;/h6-13H,2-5H2,1H3;1H4;1H
InChIKeyLDDXJLTXXRDSAE-UHFFFAOYSA-N
MW322.41 g/mol
LogP6.95
Rot. Bonds2

About 1,2-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen

1,2-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen (PubChem CID 159316188) has the molecular formula C20H25F3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1,2-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen.

Molecular Properties

Compound Name1,2-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen
PubChem CID159316188
Molecular FormulaC20H25F3
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name1,2-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen
SMILESC.CC1CCC(c2ccc(-c3ccc(F)c(F)c3)c(F)c2)CC1.[H][H]
InChIInChI=1S/C19H19F3.CH4.H2/c1-12-2-4-13(5-3-12)14-6-8-16(18(21)10-14)15-7-9-17(20)19(22)11-15;;/h6-13H,2-5H2,1H3;1H4;1H
InChIKeyLDDXJLTXXRDSAE-UHFFFAOYSA-N
XLogP6.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylphenyl)phenyl]benzene;methane;molecular hydrogen
CID 161261914
2-chloro-1,3-difluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;molecular hydrogen
CID 157087004
2,6-difluoro-4-[2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]aniline
CID 142540997
2-(3,4-difluorophenyl)-1-fluoro-6-(4-methylcyclohexyl)naphthalene
CID 71106738
1,2-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]naphthalene
CID 122609106
1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
CID 10882919
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-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 22886833
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
2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen
CID 158317433
2-fluoro-1-(3-fluoro-4-methoxyphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;fluoromethane
CID 123561678
1-[4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylcycloheptane
CID 123946617

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen?
The IUPAC name of 1,2-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen (CID 159316188) is 1,2-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen.
What is the SMILES notation for 1,2-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen?
The canonical SMILES for 1,2-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen is C.CC1CCC(c2ccc(-c3ccc(F)c(F)c3)c(F)c2)CC1.[H][H].
What is the InChIKey of 1,2-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen?
The InChIKey is LDDXJLTXXRDSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3.CH4.H2/c1-12-2-4-13(5-3-12)14-6-8-16(18(21)10-14)15-7-9-17(20)19(22)11-15;;/h6-13H,2-5H2,1H3;1H4;1H.
What are the key properties of 1,2-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen?
1,2-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen has a molecular weight of 322.41 g/mol, XLogP of 6.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen is sourced from PubChem (CID 159316188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).