1-fluorobutyl 5-amino-4-(2-fluorophenyl)pentanoate

C15H21F2NO2 — CID 146368450

IUPAC1-fluorobutyl 5-amino-4-(2-fluorophenyl)pentanoate
SMILESCCCC(F)OC(=O)CCC(CN)c1ccccc1F
InChIInChI=1S/C15H21F2NO2/c1-2-5-14(17)20-15(19)9-8-11(10-18)12-6-3-4-7-13(12)16/h3-4,6-7,11,14H,2,5,8-10,18H2,1H3
InChIKeyOLESSUYUBCHIEI-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.29
Rot. Bonds8

About 1-fluorobutyl 5-amino-4-(2-fluorophenyl)pentanoate

1-fluorobutyl 5-amino-4-(2-fluorophenyl)pentanoate (PubChem CID 146368450) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-fluorobutyl 5-amino-4-(2-fluorophenyl)pentanoate.

Molecular Properties

Compound Name1-fluorobutyl 5-amino-4-(2-fluorophenyl)pentanoate
PubChem CID146368450
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name1-fluorobutyl 5-amino-4-(2-fluorophenyl)pentanoate
SMILESCCCC(F)OC(=O)CCC(CN)c1ccccc1F
InChIInChI=1S/C15H21F2NO2/c1-2-5-14(17)20-15(19)9-8-11(10-18)12-6-3-4-7-13(12)16/h3-4,6-7,11,14H,2,5,8-10,18H2,1H3
InChIKeyOLESSUYUBCHIEI-UHFFFAOYSA-N
XLogP3.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-fluorobutyl 5-amino-4-[2-(difluoromethoxy)phenyl]pentanoate
CID 146368484
1-fluorobutyl 5-amino-4-[2-(trifluoromethoxy)phenyl]pentanoate
CID 146368383
1-fluorobutyl 4-amino-3-(2-ethoxyphenyl)butanoate;hydrochloride
CID 146368517
1-fluorobutyl 4-amino-3-(2-fluoro-6-methoxyphenyl)butanoate
CID 146368534
1-fluorobutyl 4-amino-3-pyridin-2-ylbutanoate
CID 146368456
(3R)-4-amino-3-(2-fluorophenyl)butanoic acid
CID 55275306
1-fluorobutyl 6-amino-5-(2-chlorophenyl)-5-methylhexanoate
CID 146368436
2-(2-fluorophenyl)-6-methoxyhexan-1-amine
CID 104649507
tert-butyl 5-amino-4-[2-(difluoromethoxy)phenyl]pentanoate
CID 142451403
4-(3,4-dimethylphenoxy)-2-(2-fluorophenyl)butan-1-amine
CID 82138148
diethyl 2-(2-fluorophenyl)propanedioate
CID 22325508
1-fluorobutyl 4-amino-3-(2-chlorophenyl)-3-methylbutanoate
CID 146368493

Frequently Asked Questions

What is the IUPAC name of 1-fluorobutyl 5-amino-4-(2-fluorophenyl)pentanoate?
The IUPAC name of 1-fluorobutyl 5-amino-4-(2-fluorophenyl)pentanoate (CID 146368450) is 1-fluorobutyl 5-amino-4-(2-fluorophenyl)pentanoate.
What is the SMILES notation for 1-fluorobutyl 5-amino-4-(2-fluorophenyl)pentanoate?
The canonical SMILES for 1-fluorobutyl 5-amino-4-(2-fluorophenyl)pentanoate is CCCC(F)OC(=O)CCC(CN)c1ccccc1F.
What is the InChIKey of 1-fluorobutyl 5-amino-4-(2-fluorophenyl)pentanoate?
The InChIKey is OLESSUYUBCHIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-2-5-14(17)20-15(19)9-8-11(10-18)12-6-3-4-7-13(12)16/h3-4,6-7,11,14H,2,5,8-10,18H2,1H3.
What are the key properties of 1-fluorobutyl 5-amino-4-(2-fluorophenyl)pentanoate?
1-fluorobutyl 5-amino-4-(2-fluorophenyl)pentanoate has a molecular weight of 285.33 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobutyl 5-amino-4-(2-fluorophenyl)pentanoate is sourced from PubChem (CID 146368450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).