6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine

C9H12FN — CID 167226768

IUPAC6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine
SMILESC=C(C)N1C=C(F)C=CCC1
InChIInChI=1S/C9H12FN/c1-8(2)11-6-4-3-5-9(10)7-11/h3,5,7H,1,4,6H2,2H3
InChIKeyHUEMYOMJJCYVMK-UHFFFAOYSA-N
MW153.20 g/mol
LogP2.59
Rot. Bonds1

About 6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine

6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine (PubChem CID 167226768) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine.

Molecular Properties

Compound Name6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine
PubChem CID167226768
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine
SMILESC=C(C)N1C=C(F)C=CCC1
InChIInChI=1S/C9H12FN/c1-8(2)11-6-4-3-5-9(10)7-11/h3,5,7H,1,4,6H2,2H3
InChIKeyHUEMYOMJJCYVMK-UHFFFAOYSA-N
XLogP2.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine 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 6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine?
The IUPAC name of 6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine (CID 167226768) is 6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine.
What is the SMILES notation for 6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine?
The canonical SMILES for 6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine is C=C(C)N1C=C(F)C=CCC1.
What is the InChIKey of 6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine?
The InChIKey is HUEMYOMJJCYVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-8(2)11-6-4-3-5-9(10)7-11/h3,5,7H,1,4,6H2,2H3.
What are the key properties of 6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine?
6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine has a molecular weight of 153.20 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine is sourced from PubChem (CID 167226768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).