(6S)-2-chloro-1,5-difluoro-6-methylcyclohexa-1,3-diene

C7H7ClF2 — CID 70326511

IUPAC(6S)-2-chloro-1,5-difluoro-6-methylcyclohexa-1,3-diene
SMILESC[C@@H]1C(F)=C(Cl)C=CC1F
InChIInChI=1S/C7H7ClF2/c1-4-6(9)3-2-5(8)7(4)10/h2-4,6H,1H3/t4-,6?/m0/s1
InChIKeyHFSPTSVINJZQAB-VKZKZBKNSA-N
MW164.58 g/mol
LogP2.95
Rot. Bonds

About (6S)-2-chloro-1,5-difluoro-6-methylcyclohexa-1,3-diene

(6S)-2-chloro-1,5-difluoro-6-methylcyclohexa-1,3-diene (PubChem CID 70326511) has the molecular formula C7H7ClF2 and a molecular weight of 164.58 g/mol. Its IUPAC name is (6S)-2-chloro-1,5-difluoro-6-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name(6S)-2-chloro-1,5-difluoro-6-methylcyclohexa-1,3-diene
PubChem CID70326511
Molecular FormulaC7H7ClF2
Molecular Weight164.58 g/mol
Exact Mass164.02
IUPAC Name(6S)-2-chloro-1,5-difluoro-6-methylcyclohexa-1,3-diene
SMILESC[C@@H]1C(F)=C(Cl)C=CC1F
InChIInChI=1S/C7H7ClF2/c1-4-6(9)3-2-5(8)7(4)10/h2-4,6H,1H3/t4-,6?/m0/s1
InChIKeyHFSPTSVINJZQAB-VKZKZBKNSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.58
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (6S)-2-chloro-1,5-difluoro-6-methylcyclohexa-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 (6S)-2-chloro-1,5-difluoro-6-methylcyclohexa-1,3-diene?
The IUPAC name of (6S)-2-chloro-1,5-difluoro-6-methylcyclohexa-1,3-diene (CID 70326511) is (6S)-2-chloro-1,5-difluoro-6-methylcyclohexa-1,3-diene.
What is the SMILES notation for (6S)-2-chloro-1,5-difluoro-6-methylcyclohexa-1,3-diene?
The canonical SMILES for (6S)-2-chloro-1,5-difluoro-6-methylcyclohexa-1,3-diene is C[C@@H]1C(F)=C(Cl)C=CC1F.
What is the InChIKey of (6S)-2-chloro-1,5-difluoro-6-methylcyclohexa-1,3-diene?
The InChIKey is HFSPTSVINJZQAB-VKZKZBKNSA-N. The full InChI is InChI=1S/C7H7ClF2/c1-4-6(9)3-2-5(8)7(4)10/h2-4,6H,1H3/t4-,6?/m0/s1.
What are the key properties of (6S)-2-chloro-1,5-difluoro-6-methylcyclohexa-1,3-diene?
(6S)-2-chloro-1,5-difluoro-6-methylcyclohexa-1,3-diene has a molecular weight of 164.58 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-chloro-1,5-difluoro-6-methylcyclohexa-1,3-diene is sourced from PubChem (CID 70326511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).