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

C29H49F — CID 158317433

IUPAC2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen
SMILESC.C.C.CC1CCC(c2ccc(-c3ccc(C4CCC(C)CC4)c(F)c3)cc2)CC1.[H][H].[H][H]
InChIInChI=1S/C26H33F.3CH4.2H2/c1-18-3-7-20(8-4-18)21-11-13-22(14-12-21)24-15-16-25(26(27)17-24)23-9-5-19(2)6-10-23;;;;;/h11-20,23H,3-10H2,1-2H3;3*1H4;2*1H
InChIKeyDLVBFLVJPDDLRO-UHFFFAOYSA-N
MW416.71 g/mol
LogP10.48
Rot. Bonds3

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

2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen (PubChem CID 158317433) has the molecular formula C29H49F and a molecular weight of 416.71 g/mol. Its IUPAC name is 2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen.

Molecular Properties

Compound Name2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen
PubChem CID158317433
Molecular FormulaC29H49F
Molecular Weight416.71 g/mol
Exact Mass416.38
IUPAC Name2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen
SMILESC.C.C.CC1CCC(c2ccc(-c3ccc(C4CCC(C)CC4)c(F)c3)cc2)CC1.[H][H].[H][H]
InChIInChI=1S/C26H33F.3CH4.2H2/c1-18-3-7-20(8-4-18)21-11-13-22(14-12-21)24-15-16-25(26(27)17-24)23-9-5-19(2)6-10-23;;;;;/h11-20,23H,3-10H2,1-2H3;3*1H4;2*1H
InChIKeyDLVBFLVJPDDLRO-UHFFFAOYSA-N
XLogP10.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.71
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene
CID 54571988
1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 22886833
2-fluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 144809449
2-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]phenyl]-1-(4-propylcyclohexyl)benzene
CID 21265243
1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 157263040
CID 145279398
CID 145279398
2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylphenyl)phenyl]benzene;methane;molecular hydrogen
CID 161261914
1,2-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen
CID 159316188
1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen
CID 158127728
2-fluoro-4-methyl-1-(4-methylcyclohexyl)benzene
CID 126578544
2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-(4-methylphenyl)benzene
CID 129171181
1-[4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylcycloheptane
CID 123946617

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen?
The IUPAC name of 2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen (CID 158317433) is 2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen.
What is the SMILES notation for 2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen?
The canonical SMILES for 2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen is C.C.C.CC1CCC(c2ccc(-c3ccc(C4CCC(C)CC4)c(F)c3)cc2)CC1.[H][H].[H][H].
What is the InChIKey of 2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen?
The InChIKey is DLVBFLVJPDDLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F.3CH4.2H2/c1-18-3-7-20(8-4-18)21-11-13-22(14-12-21)24-15-16-25(26(27)17-24)23-9-5-19(2)6-10-23;;;;;/h11-20,23H,3-10H2,1-2H3;3*1H4;2*1H.
What are the key properties of 2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen?
2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen has a molecular weight of 416.71 g/mol, XLogP of 10.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen is sourced from PubChem (CID 158317433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).