4-(1-fluoroethyl)azepane

C8H16FN — CID 105428868

IUPAC4-(1-fluoroethyl)azepane
SMILESCC(F)C1CCCNCC1
InChIInChI=1S/C8H16FN/c1-7(9)8-3-2-5-10-6-4-8/h7-8,10H,2-6H2,1H3
InChIKeyBPGVJXYVSMPGSP-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.73
Rot. Bonds1

About 4-(1-fluoroethyl)azepane

4-(1-fluoroethyl)azepane (PubChem CID 105428868) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 4-(1-fluoroethyl)azepane.

Molecular Properties

Compound Name4-(1-fluoroethyl)azepane
PubChem CID105428868
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name4-(1-fluoroethyl)azepane
SMILESCC(F)C1CCCNCC1
InChIInChI=1S/C8H16FN/c1-7(9)8-3-2-5-10-6-4-8/h7-8,10H,2-6H2,1H3
InChIKeyBPGVJXYVSMPGSP-UHFFFAOYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(1-fluoroethyl)azepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-Azepine, hexahydro-3,3,5-trimethyl-
CID 118239
4-Methylazepane
CID 19600416
4,4-Dimethylazepane hydrochloride
CID 66850259
1H-Azepine, hexahydro-3,5,5-trimethyl-
CID 118240
4-Ethylazepane
CID 17996801
4-(Propan-2-yl)azepane
CID 19964977
4,4-Dimethylazepane
CID 21479113
4-Tert-butylazepane
CID 22764270
Hexahydro-3,3,5,5-tetramethyl-1H-azepine
CID 54129538
4,4-Diethylazepane
CID 75525697
rac-(3R,5S)-3,5-dimethylazepane
CID 95970339
4,4-Difluoro-5-methylazepane hydrochloride
CID 118798550

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethyl)azepane?
The IUPAC name of 4-(1-fluoroethyl)azepane (CID 105428868) is 4-(1-fluoroethyl)azepane.
What is the SMILES notation for 4-(1-fluoroethyl)azepane?
The canonical SMILES for 4-(1-fluoroethyl)azepane is CC(F)C1CCCNCC1.
What is the InChIKey of 4-(1-fluoroethyl)azepane?
The InChIKey is BPGVJXYVSMPGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-7(9)8-3-2-5-10-6-4-8/h7-8,10H,2-6H2,1H3.
What are the key properties of 4-(1-fluoroethyl)azepane?
4-(1-fluoroethyl)azepane has a molecular weight of 145.22 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethyl)azepane is sourced from PubChem (CID 105428868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).