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

C16H24F2 — CID 143149652

IUPAC1,3-difluoro-2-[(4-methylcyclohexyl)methyl]benzene;ethane
SMILESCC.CC1CCC(Cc2c(F)cccc2F)CC1
InChIInChI=1S/C14H18F2.C2H6/c1-10-5-7-11(8-6-10)9-12-13(15)3-2-4-14(12)16;1-2/h2-4,10-11H,5-9H2,1H3;1-2H3
InChIKeyKFGKFQVLAJSQBP-UHFFFAOYSA-N
MW254.36 g/mol
LogP5.36
Rot. Bonds2

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

1,3-difluoro-2-[(4-methylcyclohexyl)methyl]benzene;ethane (PubChem CID 143149652) has the molecular formula C16H24F2 and a molecular weight of 254.36 g/mol. Its IUPAC name is 1,3-difluoro-2-[(4-methylcyclohexyl)methyl]benzene;ethane.

Molecular Properties

Compound Name1,3-difluoro-2-[(4-methylcyclohexyl)methyl]benzene;ethane
PubChem CID143149652
Molecular FormulaC16H24F2
Molecular Weight254.36 g/mol
Exact Mass254.18
IUPAC Name1,3-difluoro-2-[(4-methylcyclohexyl)methyl]benzene;ethane
SMILESCC.CC1CCC(Cc2c(F)cccc2F)CC1
InChIInChI=1S/C14H18F2.C2H6/c1-10-5-7-11(8-6-10)9-12-13(15)3-2-4-14(12)16;1-2/h2-4,10-11H,5-9H2,1H3;1-2H3
InChIKeyKFGKFQVLAJSQBP-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.36
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3-difluoro-2-[(4-methylcyclohexyl)methyl]benzene;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-fluoro-2-[(4-methylcyclohexyl)methyl]benzene;methoxymethane
CID 142810006
1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane
CID 91321679
3-[(2,6-difluorophenyl)methyl]azetidine;hydrochloride
CID 54596092
1,2,4,5-tetramethyl-3,6-bis[(4-methylcyclohexyl)methyl]benzene
CID 59048903
1-[(2,6-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 114931200
3-fluoro-2-iodo-N-[(4-methylcyclohexyl)methyl]aniline
CID 114258327
2-[(2,6-difluorophenyl)methyl]-4-ethylcyclohexane-1-carboxylic acid
CID 114935138
3-(cyclopropylmethyl)-4-fluoro-1,2-dimethylindole
CID 143750031
4-[(2-fluoro-6-methoxyphenyl)methyl]piperidine
CID 83809598
cyclopropylmethyl-[(2,6-difluorophenyl)methyl]-propylazanium
CID 7242839
1,3-difluoro-2-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 54557681
2-[(2,6-difluorophenyl)methyl]cyclobutan-1-amine
CID 114935142

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-[(4-methylcyclohexyl)methyl]benzene;ethane?
The IUPAC name of 1,3-difluoro-2-[(4-methylcyclohexyl)methyl]benzene;ethane (CID 143149652) is 1,3-difluoro-2-[(4-methylcyclohexyl)methyl]benzene;ethane.
What is the SMILES notation for 1,3-difluoro-2-[(4-methylcyclohexyl)methyl]benzene;ethane?
The canonical SMILES for 1,3-difluoro-2-[(4-methylcyclohexyl)methyl]benzene;ethane is CC.CC1CCC(Cc2c(F)cccc2F)CC1.
What is the InChIKey of 1,3-difluoro-2-[(4-methylcyclohexyl)methyl]benzene;ethane?
The InChIKey is KFGKFQVLAJSQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2.C2H6/c1-10-5-7-11(8-6-10)9-12-13(15)3-2-4-14(12)16;1-2/h2-4,10-11H,5-9H2,1H3;1-2H3.
What are the key properties of 1,3-difluoro-2-[(4-methylcyclohexyl)methyl]benzene;ethane?
1,3-difluoro-2-[(4-methylcyclohexyl)methyl]benzene;ethane has a molecular weight of 254.36 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-[(4-methylcyclohexyl)methyl]benzene;ethane is sourced from PubChem (CID 143149652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).