1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene

C10H14F2S — CID 173055962

IUPAC1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene
SMILESCSC1C(C(F)F)=CC=CC1(C)C
InChIInChI=1S/C10H14F2S/c1-10(2)6-4-5-7(9(11)12)8(10)13-3/h4-6,8-9H,1-3H3
InChIKeyRQWZPSZAZOOHIS-UHFFFAOYSA-N
MW204.28 g/mol
LogP3.51
Rot. Bonds2

About 1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene

1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene (PubChem CID 173055962) has the molecular formula C10H14F2S and a molecular weight of 204.28 g/mol. Its IUPAC name is 1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene
PubChem CID173055962
Molecular FormulaC10H14F2S
Molecular Weight204.28 g/mol
Exact Mass204.08
IUPAC Name1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene
SMILESCSC1C(C(F)F)=CC=CC1(C)C
InChIInChI=1S/C10H14F2S/c1-10(2)6-4-5-7(9(11)12)8(10)13-3/h4-6,8-9H,1-3H3
InChIKeyRQWZPSZAZOOHIS-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene?
The IUPAC name of 1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene (CID 173055962) is 1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene.
What is the SMILES notation for 1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene?
The canonical SMILES for 1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene is CSC1C(C(F)F)=CC=CC1(C)C.
What is the InChIKey of 1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene?
The InChIKey is RQWZPSZAZOOHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2S/c1-10(2)6-4-5-7(9(11)12)8(10)13-3/h4-6,8-9H,1-3H3.
What are the key properties of 1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene?
1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene has a molecular weight of 204.28 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene is sourced from PubChem (CID 173055962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).