3-(difluoromethyl)-3,6-dimethyl-6-methylsulfanylcyclohexene

C10H16F2S — CID 167163124

IUPAC3-(difluoromethyl)-3,6-dimethyl-6-methylsulfanylcyclohexene
SMILESCSC1(C)C=CC(C)(C(F)F)CC1
InChIInChI=1S/C10H16F2S/c1-9(8(11)12)4-6-10(2,13-3)7-5-9/h4,6,8H,5,7H2,1-3H3
InChIKeyQQZXPAPPTOENHS-UHFFFAOYSA-N
MW206.30 g/mol
LogP3.73
Rot. Bonds2

About 3-(difluoromethyl)-3,6-dimethyl-6-methylsulfanylcyclohexene

3-(difluoromethyl)-3,6-dimethyl-6-methylsulfanylcyclohexene (PubChem CID 167163124) has the molecular formula C10H16F2S and a molecular weight of 206.30 g/mol. Its IUPAC name is 3-(difluoromethyl)-3,6-dimethyl-6-methylsulfanylcyclohexene.

Molecular Properties

Compound Name3-(difluoromethyl)-3,6-dimethyl-6-methylsulfanylcyclohexene
PubChem CID167163124
Molecular FormulaC10H16F2S
Molecular Weight206.30 g/mol
Exact Mass206.09
IUPAC Name3-(difluoromethyl)-3,6-dimethyl-6-methylsulfanylcyclohexene
SMILESCSC1(C)C=CC(C)(C(F)F)CC1
InChIInChI=1S/C10H16F2S/c1-9(8(11)12)4-6-10(2,13-3)7-5-9/h4,6,8H,5,7H2,1-3H3
InChIKeyQQZXPAPPTOENHS-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.30
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(difluoromethyl)-3,6-dimethyl-6-methylsulfanylcyclohexene 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-[(Z)-1-ethenylsulfanylprop-1-enyl]-3,3-difluoro-1-methylcyclobutane
CID 170195010
5-(Difluoromethyl)-3-methyl-5-methylsulfanylcyclohexene
CID 173055684
3,3,6,6-Tetramethyl-1-methylsulfanylcyclohexene
CID 146385035
6,6-Dimethyl-1-methylsulfanylcyclohexene
CID 169256378

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-3,6-dimethyl-6-methylsulfanylcyclohexene?
The IUPAC name of 3-(difluoromethyl)-3,6-dimethyl-6-methylsulfanylcyclohexene (CID 167163124) is 3-(difluoromethyl)-3,6-dimethyl-6-methylsulfanylcyclohexene.
What is the SMILES notation for 3-(difluoromethyl)-3,6-dimethyl-6-methylsulfanylcyclohexene?
The canonical SMILES for 3-(difluoromethyl)-3,6-dimethyl-6-methylsulfanylcyclohexene is CSC1(C)C=CC(C)(C(F)F)CC1.
What is the InChIKey of 3-(difluoromethyl)-3,6-dimethyl-6-methylsulfanylcyclohexene?
The InChIKey is QQZXPAPPTOENHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2S/c1-9(8(11)12)4-6-10(2,13-3)7-5-9/h4,6,8H,5,7H2,1-3H3.
What are the key properties of 3-(difluoromethyl)-3,6-dimethyl-6-methylsulfanylcyclohexene?
3-(difluoromethyl)-3,6-dimethyl-6-methylsulfanylcyclohexene has a molecular weight of 206.30 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-3,6-dimethyl-6-methylsulfanylcyclohexene is sourced from PubChem (CID 167163124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).