2-[1-(azepan-4-yl)-1-fluoroethyl]phenol

C14H20FNO — CID 84727540

IUPAC2-[1-(azepan-4-yl)-1-fluoroethyl]phenol
SMILESCC(F)(c1ccccc1O)C1CCCNCC1
InChIInChI=1S/C14H20FNO/c1-14(15,11-5-4-9-16-10-8-11)12-6-2-3-7-13(12)17/h2-3,6-7,11,16-17H,4-5,8-10H2,1H3
InChIKeyDVSZLOVBJCCHOG-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.97
Rot. Bonds2

About 2-[1-(azepan-4-yl)-1-fluoroethyl]phenol

2-[1-(azepan-4-yl)-1-fluoroethyl]phenol (PubChem CID 84727540) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[1-(azepan-4-yl)-1-fluoroethyl]phenol.

Molecular Properties

Compound Name2-[1-(azepan-4-yl)-1-fluoroethyl]phenol
PubChem CID84727540
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-[1-(azepan-4-yl)-1-fluoroethyl]phenol
SMILESCC(F)(c1ccccc1O)C1CCCNCC1
InChIInChI=1S/C14H20FNO/c1-14(15,11-5-4-9-16-10-8-11)12-6-2-3-7-13(12)17/h2-3,6-7,11,16-17H,4-5,8-10H2,1H3
InChIKeyDVSZLOVBJCCHOG-UHFFFAOYSA-N
XLogP2.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-(azepan-4-yl)-1-fluoroethyl]phenol 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 2-[1-(azepan-4-yl)-1-fluoroethyl]phenol?
The IUPAC name of 2-[1-(azepan-4-yl)-1-fluoroethyl]phenol (CID 84727540) is 2-[1-(azepan-4-yl)-1-fluoroethyl]phenol.
What is the SMILES notation for 2-[1-(azepan-4-yl)-1-fluoroethyl]phenol?
The canonical SMILES for 2-[1-(azepan-4-yl)-1-fluoroethyl]phenol is CC(F)(c1ccccc1O)C1CCCNCC1.
What is the InChIKey of 2-[1-(azepan-4-yl)-1-fluoroethyl]phenol?
The InChIKey is DVSZLOVBJCCHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-14(15,11-5-4-9-16-10-8-11)12-6-2-3-7-13(12)17/h2-3,6-7,11,16-17H,4-5,8-10H2,1H3.
What are the key properties of 2-[1-(azepan-4-yl)-1-fluoroethyl]phenol?
2-[1-(azepan-4-yl)-1-fluoroethyl]phenol has a molecular weight of 237.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(azepan-4-yl)-1-fluoroethyl]phenol is sourced from PubChem (CID 84727540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).