3,4-difluoro-1,2,6-trimethyl-1-propylcyclohexane

C12H22F2 — CID 175608830

IUPAC3,4-difluoro-1,2,6-trimethyl-1-propylcyclohexane
SMILESCCCC1(C)C(C)CC(F)C(F)C1C
InChIInChI=1S/C12H22F2/c1-5-6-12(4)8(2)7-10(13)11(14)9(12)3/h8-11H,5-7H2,1-4H3
InChIKeyPOVCVOBJQDOSLI-UHFFFAOYSA-N
MW204.30 g/mol
LogP4.14
Rot. Bonds2

About 3,4-difluoro-1,2,6-trimethyl-1-propylcyclohexane

3,4-difluoro-1,2,6-trimethyl-1-propylcyclohexane (PubChem CID 175608830) has the molecular formula C12H22F2 and a molecular weight of 204.30 g/mol. Its IUPAC name is 3,4-difluoro-1,2,6-trimethyl-1-propylcyclohexane.

Molecular Properties

Compound Name3,4-difluoro-1,2,6-trimethyl-1-propylcyclohexane
PubChem CID175608830
Molecular FormulaC12H22F2
Molecular Weight204.30 g/mol
Exact Mass204.17
IUPAC Name3,4-difluoro-1,2,6-trimethyl-1-propylcyclohexane
SMILESCCCC1(C)C(C)CC(F)C(F)C1C
InChIInChI=1S/C12H22F2/c1-5-6-12(4)8(2)7-10(13)11(14)9(12)3/h8-11H,5-7H2,1-4H3
InChIKeyPOVCVOBJQDOSLI-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,4-difluoro-1,2,6-trimethyl-1-propylcyclohexane 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

1,2-dimethyl-3-propan-2-yl-1-propylcyclopropane
CID 90948897
2,4-dimethyl-2-propylbicyclo[1.1.0]butane
CID 91359632
1,2,3-trimethyl-1-propylcyclopentane
CID 91062709
2,3-diethyl-1-methyl-1-propylcyclopropane
CID 91292354
2,3-dimethyl-2-propyloxetane
CID 89191195
(1S,2S,5S)-5-amino-2-butyl-2,3-dimethylcyclopentan-1-ol
CID 166652278
1-ethyl-2,5-dimethyl-1-propylcyclopentane
CID 145269100
2,3-dimethyl-1,1-dipropylcyclobutane
CID 143150497
(4S)-1-butyl-1-ethyl-4-fluoro-2-methylcyclopentane
CID 170622501
1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]butyl]cyclohexane
CID 142900014
1,1,2,3-tetramethyl-2-propylcyclopropane
CID 90999525
ethane;methane;3,4,6,7-tetramethyl-4-propyl-2,3,4a,5,7,8,9,9a-octahydro-1H-benzo[7]annulen-6-amine
CID 168883513

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-1,2,6-trimethyl-1-propylcyclohexane?
The IUPAC name of 3,4-difluoro-1,2,6-trimethyl-1-propylcyclohexane (CID 175608830) is 3,4-difluoro-1,2,6-trimethyl-1-propylcyclohexane.
What is the SMILES notation for 3,4-difluoro-1,2,6-trimethyl-1-propylcyclohexane?
The canonical SMILES for 3,4-difluoro-1,2,6-trimethyl-1-propylcyclohexane is CCCC1(C)C(C)CC(F)C(F)C1C.
What is the InChIKey of 3,4-difluoro-1,2,6-trimethyl-1-propylcyclohexane?
The InChIKey is POVCVOBJQDOSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2/c1-5-6-12(4)8(2)7-10(13)11(14)9(12)3/h8-11H,5-7H2,1-4H3.
What are the key properties of 3,4-difluoro-1,2,6-trimethyl-1-propylcyclohexane?
3,4-difluoro-1,2,6-trimethyl-1-propylcyclohexane has a molecular weight of 204.30 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-1,2,6-trimethyl-1-propylcyclohexane is sourced from PubChem (CID 175608830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).