(7R)-1-chloro-5-fluoro-4,7-dimethylcyclohepta-1,3,5-triene

C9H10ClF — CID 130224173

IUPAC(7R)-1-chloro-5-fluoro-4,7-dimethylcyclohepta-1,3,5-triene
SMILESCC1=CC=C(Cl)[C@H](C)C=C1F
InChIInChI=1S/C9H10ClF/c1-6-3-4-8(10)7(2)5-9(6)11/h3-5,7H,1-2H3/t7-/m1/s1
InChIKeyLBCWLIQLLFFTQO-SSDOTTSWSA-N
MW172.63 g/mol
LogP3.56
Rot. Bonds

About (7R)-1-chloro-5-fluoro-4,7-dimethylcyclohepta-1,3,5-triene

(7R)-1-chloro-5-fluoro-4,7-dimethylcyclohepta-1,3,5-triene (PubChem CID 130224173) has the molecular formula C9H10ClF and a molecular weight of 172.63 g/mol. Its IUPAC name is (7R)-1-chloro-5-fluoro-4,7-dimethylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name(7R)-1-chloro-5-fluoro-4,7-dimethylcyclohepta-1,3,5-triene
PubChem CID130224173
Molecular FormulaC9H10ClF
Molecular Weight172.63 g/mol
Exact Mass172.05
IUPAC Name(7R)-1-chloro-5-fluoro-4,7-dimethylcyclohepta-1,3,5-triene
SMILESCC1=CC=C(Cl)[C@H](C)C=C1F
InChIInChI=1S/C9H10ClF/c1-6-3-4-8(10)7(2)5-9(6)11/h3-5,7H,1-2H3/t7-/m1/s1
InChIKeyLBCWLIQLLFFTQO-SSDOTTSWSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.63
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (7R)-1-chloro-5-fluoro-4,7-dimethylcyclohepta-1,3,5-triene 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 (7R)-1-chloro-5-fluoro-4,7-dimethylcyclohepta-1,3,5-triene?
The IUPAC name of (7R)-1-chloro-5-fluoro-4,7-dimethylcyclohepta-1,3,5-triene (CID 130224173) is (7R)-1-chloro-5-fluoro-4,7-dimethylcyclohepta-1,3,5-triene.
What is the SMILES notation for (7R)-1-chloro-5-fluoro-4,7-dimethylcyclohepta-1,3,5-triene?
The canonical SMILES for (7R)-1-chloro-5-fluoro-4,7-dimethylcyclohepta-1,3,5-triene is CC1=CC=C(Cl)[C@H](C)C=C1F.
What is the InChIKey of (7R)-1-chloro-5-fluoro-4,7-dimethylcyclohepta-1,3,5-triene?
The InChIKey is LBCWLIQLLFFTQO-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10ClF/c1-6-3-4-8(10)7(2)5-9(6)11/h3-5,7H,1-2H3/t7-/m1/s1.
What are the key properties of (7R)-1-chloro-5-fluoro-4,7-dimethylcyclohepta-1,3,5-triene?
(7R)-1-chloro-5-fluoro-4,7-dimethylcyclohepta-1,3,5-triene has a molecular weight of 172.63 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-1-chloro-5-fluoro-4,7-dimethylcyclohepta-1,3,5-triene is sourced from PubChem (CID 130224173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).