2,3-difluoro-1-methyl-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]benzene;methane

C24H40F2 — CID 158762023

IUPAC2,3-difluoro-1-methyl-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]benzene;methane
SMILESC.C.Cc1ccc(CC2CCC(CC3CCC(C)CC3)CC2)c(F)c1F
InChIInChI=1S/C22H32F2.2CH4/c1-15-3-6-17(7-4-15)13-18-8-10-19(11-9-18)14-20-12-5-16(2)21(23)22(20)24;;/h5,12,15,17-19H,3-4,6-11,13-14H2,1-2H3;2*1H4
InChIKeyIOUGNJMUFNRUQL-UHFFFAOYSA-N
MW366.58 g/mol
LogP8.11
Rot. Bonds4

About 2,3-difluoro-1-methyl-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]benzene;methane

2,3-difluoro-1-methyl-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]benzene;methane (PubChem CID 158762023) has the molecular formula C24H40F2 and a molecular weight of 366.58 g/mol. Its IUPAC name is 2,3-difluoro-1-methyl-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]benzene;methane.

Molecular Properties

Compound Name2,3-difluoro-1-methyl-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]benzene;methane
PubChem CID158762023
Molecular FormulaC24H40F2
Molecular Weight366.58 g/mol
Exact Mass366.31
IUPAC Name2,3-difluoro-1-methyl-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]benzene;methane
SMILESC.C.Cc1ccc(CC2CCC(CC3CCC(C)CC3)CC2)c(F)c1F
InChIInChI=1S/C22H32F2.2CH4/c1-15-3-6-17(7-4-15)13-18-8-10-19(11-9-18)14-20-12-5-16(2)21(23)22(20)24;;/h5,12,15,17-19H,3-4,6-11,13-14H2,1-2H3;2*1H4
InChIKeyIOUGNJMUFNRUQL-UHFFFAOYSA-N
XLogP8.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.58
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 161186786
CID 161186786
1-[[2,3-difluoro-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-2,3-difluoro-4-methylbenzene
CID 134273621
3-fluoro-1-[(4-methoxycyclohexyl)methyl]-2-methyl-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]benzene
CID 58212285
2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methyl]benzene
CID 20742506
2,3-difluoro-1-[(4-methylcyclohexyl)methyl]-4-propan-2-ylbenzene
CID 91116648
1,4-bis[(4-methylcyclohexyl)methyl]cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene
CID 158469546
1,4-bis[(4-methylcyclohexyl)methyl]cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene
CID 159879283
1,6-dimethyl-4-[(4-methylcyclohexyl)methyl]naphthalene
CID 123270650
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 161317011
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 158911211
1,4-bis[(4-methylcyclohexyl)methyl]cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;bis(2-fluoro-1,4-dimethylbenzene);methane;molecular iodine;1,4-xylene
CID 161338746
3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine
CID 84790249

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-methyl-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]benzene;methane?
The IUPAC name of 2,3-difluoro-1-methyl-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]benzene;methane (CID 158762023) is 2,3-difluoro-1-methyl-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]benzene;methane.
What is the SMILES notation for 2,3-difluoro-1-methyl-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]benzene;methane?
The canonical SMILES for 2,3-difluoro-1-methyl-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]benzene;methane is C.C.Cc1ccc(CC2CCC(CC3CCC(C)CC3)CC2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-methyl-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]benzene;methane?
The InChIKey is IOUGNJMUFNRUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F2.2CH4/c1-15-3-6-17(7-4-15)13-18-8-10-19(11-9-18)14-20-12-5-16(2)21(23)22(20)24;;/h5,12,15,17-19H,3-4,6-11,13-14H2,1-2H3;2*1H4.
What are the key properties of 2,3-difluoro-1-methyl-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]benzene;methane?
2,3-difluoro-1-methyl-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]benzene;methane has a molecular weight of 366.58 g/mol, XLogP of 8.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-methyl-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]benzene;methane is sourced from PubChem (CID 158762023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).