4-ethyl-1-fluoro-1-methyl-3-methylidenecycloheptane

C11H19F — CID 174254337

IUPAC4-ethyl-1-fluoro-1-methyl-3-methylidenecycloheptane
SMILESC=C1CC(C)(F)CCCC1CC
InChIInChI=1S/C11H19F/c1-4-10-6-5-7-11(3,12)8-9(10)2/h10H,2,4-8H2,1,3H3
InChIKeyBGVVXSCKIBSITR-UHFFFAOYSA-N
MW170.27 g/mol
LogP3.87
Rot. Bonds1

About 4-ethyl-1-fluoro-1-methyl-3-methylidenecycloheptane

4-ethyl-1-fluoro-1-methyl-3-methylidenecycloheptane (PubChem CID 174254337) has the molecular formula C11H19F and a molecular weight of 170.27 g/mol. Its IUPAC name is 4-ethyl-1-fluoro-1-methyl-3-methylidenecycloheptane.

Molecular Properties

Compound Name4-ethyl-1-fluoro-1-methyl-3-methylidenecycloheptane
PubChem CID174254337
Molecular FormulaC11H19F
Molecular Weight170.27 g/mol
Exact Mass170.15
IUPAC Name4-ethyl-1-fluoro-1-methyl-3-methylidenecycloheptane
SMILESC=C1CC(C)(F)CCCC1CC
InChIInChI=1S/C11H19F/c1-4-10-6-5-7-11(3,12)8-9(10)2/h10H,2,4-8H2,1,3H3
InChIKeyBGVVXSCKIBSITR-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.27
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-ethyl-1-fluoro-1-methyl-3-methylidenecycloheptane 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 4-ethyl-1-fluoro-1-methyl-3-methylidenecycloheptane?
The IUPAC name of 4-ethyl-1-fluoro-1-methyl-3-methylidenecycloheptane (CID 174254337) is 4-ethyl-1-fluoro-1-methyl-3-methylidenecycloheptane.
What is the SMILES notation for 4-ethyl-1-fluoro-1-methyl-3-methylidenecycloheptane?
The canonical SMILES for 4-ethyl-1-fluoro-1-methyl-3-methylidenecycloheptane is C=C1CC(C)(F)CCCC1CC.
What is the InChIKey of 4-ethyl-1-fluoro-1-methyl-3-methylidenecycloheptane?
The InChIKey is BGVVXSCKIBSITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F/c1-4-10-6-5-7-11(3,12)8-9(10)2/h10H,2,4-8H2,1,3H3.
What are the key properties of 4-ethyl-1-fluoro-1-methyl-3-methylidenecycloheptane?
4-ethyl-1-fluoro-1-methyl-3-methylidenecycloheptane has a molecular weight of 170.27 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-fluoro-1-methyl-3-methylidenecycloheptane is sourced from PubChem (CID 174254337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).