3-(2-chloro-3-methylbutyl)-1,1-difluorocyclohexane

C11H19ClF2 — CID 130487710

IUPAC3-(2-chloro-3-methylbutyl)-1,1-difluorocyclohexane
SMILESCC(C)C(Cl)CC1CCCC(F)(F)C1
InChIInChI=1S/C11H19ClF2/c1-8(2)10(12)6-9-4-3-5-11(13,14)7-9/h8-10H,3-7H2,1-2H3
InChIKeyZICPLZSZZNCQDR-UHFFFAOYSA-N
MW224.72 g/mol
LogP4.47
Rot. Bonds3

About 3-(2-chloro-3-methylbutyl)-1,1-difluorocyclohexane

3-(2-chloro-3-methylbutyl)-1,1-difluorocyclohexane (PubChem CID 130487710) has the molecular formula C11H19ClF2 and a molecular weight of 224.72 g/mol. Its IUPAC name is 3-(2-chloro-3-methylbutyl)-1,1-difluorocyclohexane.

Molecular Properties

Compound Name3-(2-chloro-3-methylbutyl)-1,1-difluorocyclohexane
PubChem CID130487710
Molecular FormulaC11H19ClF2
Molecular Weight224.72 g/mol
Exact Mass224.11
IUPAC Name3-(2-chloro-3-methylbutyl)-1,1-difluorocyclohexane
SMILESCC(C)C(Cl)CC1CCCC(F)(F)C1
InChIInChI=1S/C11H19ClF2/c1-8(2)10(12)6-9-4-3-5-11(13,14)7-9/h8-10H,3-7H2,1-2H3
InChIKeyZICPLZSZZNCQDR-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.72
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-(2-chloro-3-methylbutyl)-1,1-difluorocyclohexane 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

3-(2-chloro-3-methylbutyl)-1,1-difluorocyclopentane
CID 130487711
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
3-(2-chlorobutyl)-1,1-difluorocyclohexane
CID 126974576
4-(3,3-difluorocyclohexyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 114225502
2-(3,3-difluorocyclohexyl)-1-(3-ethylcyclopentyl)ethanol
CID 114224702
2-(3,3-difluorocyclohexyl)-1-(1-methoxycyclobutyl)ethanamine
CID 114224934
1-(3,3-difluorocyclohexyl)-3-methylheptan-2-amine
CID 114246637
1-(3,3-difluorocyclopentyl)propan-2-ol
CID 130487406
[(1S)-3,3-difluorocyclohexyl]methanesulfonyl chloride
CID 124709989
4-(3,3-difluorocyclohexyl)-N-(2-methoxyethyl)-3-methylbutan-2-amine
CID 114225157
1-cyclohexyl-3-(3,3-difluorocyclopentyl)propan-2-ol
CID 114224509
[1-(3,3-difluorocyclohexyl)-3-ethoxyhexan-2-yl]hydrazine
CID 114225995

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-methylbutyl)-1,1-difluorocyclohexane?
The IUPAC name of 3-(2-chloro-3-methylbutyl)-1,1-difluorocyclohexane (CID 130487710) is 3-(2-chloro-3-methylbutyl)-1,1-difluorocyclohexane.
What is the SMILES notation for 3-(2-chloro-3-methylbutyl)-1,1-difluorocyclohexane?
The canonical SMILES for 3-(2-chloro-3-methylbutyl)-1,1-difluorocyclohexane is CC(C)C(Cl)CC1CCCC(F)(F)C1.
What is the InChIKey of 3-(2-chloro-3-methylbutyl)-1,1-difluorocyclohexane?
The InChIKey is ZICPLZSZZNCQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClF2/c1-8(2)10(12)6-9-4-3-5-11(13,14)7-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-(2-chloro-3-methylbutyl)-1,1-difluorocyclohexane?
3-(2-chloro-3-methylbutyl)-1,1-difluorocyclohexane has a molecular weight of 224.72 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-methylbutyl)-1,1-difluorocyclohexane is sourced from PubChem (CID 130487710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).