(2-fluorophenyl)methyl 5-aminohexanoate

C13H18FNO2 — CID 82847460

IUPAC(2-fluorophenyl)methyl 5-aminohexanoate
SMILESCC(N)CCCC(=O)OCc1ccccc1F
InChIInChI=1S/C13H18FNO2/c1-10(15)5-4-8-13(16)17-9-11-6-2-3-7-12(11)14/h2-3,6-7,10H,4-5,8-9,15H2,1H3
InChIKeyLFUSGEWTNLFESM-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.39
Rot. Bonds6

About (2-fluorophenyl)methyl 5-aminohexanoate

(2-fluorophenyl)methyl 5-aminohexanoate (PubChem CID 82847460) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 5-aminohexanoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 5-aminohexanoate
PubChem CID82847460
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name(2-fluorophenyl)methyl 5-aminohexanoate
SMILESCC(N)CCCC(=O)OCc1ccccc1F
InChIInChI=1S/C13H18FNO2/c1-10(15)5-4-8-13(16)17-9-11-6-2-3-7-12(11)14/h2-3,6-7,10H,4-5,8-9,15H2,1H3
InChIKeyLFUSGEWTNLFESM-UHFFFAOYSA-N
XLogP2.39
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-fluorophenyl)methyl 5-aminohexanoate 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

1-O-[(2-fluorophenyl)methyl] 5-O-(2-methylpropyl) pentanedioate
CID 91704405
6-amino-1-(2,3-difluorophenyl)heptan-2-one
CID 116610280
(2-fluorophenyl)methyl (2S)-2-aminopentanoate
CID 107565767
(2-fluorophenyl)methyl 3-amino-3-phenylpropanoate
CID 63933223
thiophen-2-ylmethyl 5-aminohexanoate
CID 82846568
(2-fluorophenyl)methyl 3,3-dimethylbutanoate
CID 78760332
5-amino-1-(2,6-difluorophenyl)hexan-1-one
CID 116610101
ethyl 3-[(2-fluorophenyl)methoxy]propanoate
CID 63931594
bis[(2-ethylphenyl)methyl] hexanedioate
CID 69430210
[2-(pentanoyloxymethyl)phenyl]methyl pentanoate
CID 122421006
(2-fluorophenyl)methyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 78760383
6-O-[(2-aminophenyl)methyl] 1-O-methyl 2-aminohexanedioate
CID 174668163

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 5-aminohexanoate?
The IUPAC name of (2-fluorophenyl)methyl 5-aminohexanoate (CID 82847460) is (2-fluorophenyl)methyl 5-aminohexanoate.
What is the SMILES notation for (2-fluorophenyl)methyl 5-aminohexanoate?
The canonical SMILES for (2-fluorophenyl)methyl 5-aminohexanoate is CC(N)CCCC(=O)OCc1ccccc1F.
What is the InChIKey of (2-fluorophenyl)methyl 5-aminohexanoate?
The InChIKey is LFUSGEWTNLFESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-10(15)5-4-8-13(16)17-9-11-6-2-3-7-12(11)14/h2-3,6-7,10H,4-5,8-9,15H2,1H3.
What are the key properties of (2-fluorophenyl)methyl 5-aminohexanoate?
(2-fluorophenyl)methyl 5-aminohexanoate has a molecular weight of 239.29 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 5-aminohexanoate is sourced from PubChem (CID 82847460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).