4-amino-5-fluorohexanoic acid

C6H12FNO2 — CID 78098113

IUPAC4-amino-5-fluorohexanoic acid
SMILESCC(F)C(N)CCC(=O)O
InChIInChI=1S/C6H12FNO2/c1-4(7)5(8)2-3-6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)
InChIKeyBRMXCZLHKCLKIJ-UHFFFAOYSA-N
MW149.16 g/mol
LogP0.54
Rot. Bonds4

About 4-amino-5-fluorohexanoic acid

4-amino-5-fluorohexanoic acid (PubChem CID 78098113) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is 4-amino-5-fluorohexanoic acid.

Molecular Properties

Compound Name4-amino-5-fluorohexanoic acid
PubChem CID78098113
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC Name4-amino-5-fluorohexanoic acid
SMILESCC(F)C(N)CCC(=O)O
InChIInChI=1S/C6H12FNO2/c1-4(7)5(8)2-3-6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)
InChIKeyBRMXCZLHKCLKIJ-UHFFFAOYSA-N
XLogP0.54
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-amino-5,5-difluoropentanoic acid
CID 51901753
4-amino-5-hydroxy-6-methylheptanoic acid
CID 91339915
4-amino-4-fluorobutanoic acid
CID 20508342
(4R,5R)-4-amino-5-methylheptanoic acid;hydrochloride
CID 55254083
4-aminopentanoic acid;ethane
CID 143436801
4-fluoro-5-methylhexanoic acid
CID 83855194
4-amino-5-[bis(2-aminoethyl)amino]hexanoic acid
CID 141222320
(4R)-4-amino-6-methyl-5-oxoheptanoic acid
CID 139478351
5-oxo-4-propan-2-yloxycarbonylhexanoic acid
CID 156704786
(4R)-5-amino-4-methyl-5-oxopentanoic acid
CID 170269048
(2R,3R,4S)-4-amino-2,3-dihydroxyheptanedioic acid
CID 91155039
(4R)-4-amino-6-methylheptanoic acid;hydrochloride
CID 46218148

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluorohexanoic acid?
The IUPAC name of 4-amino-5-fluorohexanoic acid (CID 78098113) is 4-amino-5-fluorohexanoic acid.
What is the SMILES notation for 4-amino-5-fluorohexanoic acid?
The canonical SMILES for 4-amino-5-fluorohexanoic acid is CC(F)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-fluorohexanoic acid?
The InChIKey is BRMXCZLHKCLKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2/c1-4(7)5(8)2-3-6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10).
What are the key properties of 4-amino-5-fluorohexanoic acid?
4-amino-5-fluorohexanoic acid has a molecular weight of 149.16 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluorohexanoic acid is sourced from PubChem (CID 78098113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).