(1S)-1-fluoro-6,6-dimethylcyclohept-3-ene-1-carboxamide

C10H16FNO — CID 177059224

IUPAC(1S)-1-fluoro-6,6-dimethylcyclohept-3-ene-1-carboxamide
SMILESCC1(C)CC=CC[C@@](F)(C(N)=O)C1
InChIInChI=1S/C10H16FNO/c1-9(2)5-3-4-6-10(11,7-9)8(12)13/h3-4H,5-7H2,1-2H3,(H2,12,13)/t10-/m0/s1
InChIKeyGKVSMHGHUDKPPI-JTQLQIEISA-N
MW185.24 g/mol
LogP1.95
Rot. Bonds1

About (1S)-1-fluoro-6,6-dimethylcyclohept-3-ene-1-carboxamide

(1S)-1-fluoro-6,6-dimethylcyclohept-3-ene-1-carboxamide (PubChem CID 177059224) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is (1S)-1-fluoro-6,6-dimethylcyclohept-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-1-fluoro-6,6-dimethylcyclohept-3-ene-1-carboxamide
PubChem CID177059224
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name(1S)-1-fluoro-6,6-dimethylcyclohept-3-ene-1-carboxamide
SMILESCC1(C)CC=CC[C@@](F)(C(N)=O)C1
InChIInChI=1S/C10H16FNO/c1-9(2)5-3-4-6-10(11,7-9)8(12)13/h3-4H,5-7H2,1-2H3,(H2,12,13)/t10-/m0/s1
InChIKeyGKVSMHGHUDKPPI-JTQLQIEISA-N
XLogP1.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S)-1-fluoro-6,6-dimethylcyclohept-3-ene-1-carboxamide 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 (1S)-1-fluoro-6,6-dimethylcyclohept-3-ene-1-carboxamide?
The IUPAC name of (1S)-1-fluoro-6,6-dimethylcyclohept-3-ene-1-carboxamide (CID 177059224) is (1S)-1-fluoro-6,6-dimethylcyclohept-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-1-fluoro-6,6-dimethylcyclohept-3-ene-1-carboxamide?
The canonical SMILES for (1S)-1-fluoro-6,6-dimethylcyclohept-3-ene-1-carboxamide is CC1(C)CC=CC[C@@](F)(C(N)=O)C1.
What is the InChIKey of (1S)-1-fluoro-6,6-dimethylcyclohept-3-ene-1-carboxamide?
The InChIKey is GKVSMHGHUDKPPI-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16FNO/c1-9(2)5-3-4-6-10(11,7-9)8(12)13/h3-4H,5-7H2,1-2H3,(H2,12,13)/t10-/m0/s1.
What are the key properties of (1S)-1-fluoro-6,6-dimethylcyclohept-3-ene-1-carboxamide?
(1S)-1-fluoro-6,6-dimethylcyclohept-3-ene-1-carboxamide has a molecular weight of 185.24 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-fluoro-6,6-dimethylcyclohept-3-ene-1-carboxamide is sourced from PubChem (CID 177059224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).