3-amino-5-fluoro-4,4-bis(fluoromethyl)pentanoic acid;hydrochloride

C7H13ClF3NO2 — CID 174838740

IUPAC3-amino-5-fluoro-4,4-bis(fluoromethyl)pentanoic acid;hydrochloride
SMILESCl.NC(CC(=O)O)C(CF)(CF)CF
InChIInChI=1S/C7H12F3NO2.ClH/c8-2-7(3-9,4-10)5(11)1-6(12)13;/h5H,1-4,11H2,(H,12,13);1H
InChIKeyBEJBMJPYIIXFDK-UHFFFAOYSA-N
MW235.63 g/mol
LogP1.11
Rot. Bonds6

About 3-amino-5-fluoro-4,4-bis(fluoromethyl)pentanoic acid;hydrochloride

3-amino-5-fluoro-4,4-bis(fluoromethyl)pentanoic acid;hydrochloride (PubChem CID 174838740) has the molecular formula C7H13ClF3NO2 and a molecular weight of 235.63 g/mol. Its IUPAC name is 3-amino-5-fluoro-4,4-bis(fluoromethyl)pentanoic acid;hydrochloride.

Molecular Properties

Compound Name3-amino-5-fluoro-4,4-bis(fluoromethyl)pentanoic acid;hydrochloride
PubChem CID174838740
Molecular FormulaC7H13ClF3NO2
Molecular Weight235.63 g/mol
Exact Mass235.06
IUPAC Name3-amino-5-fluoro-4,4-bis(fluoromethyl)pentanoic acid;hydrochloride
SMILESCl.NC(CC(=O)O)C(CF)(CF)CF
InChIInChI=1S/C7H12F3NO2.ClH/c8-2-7(3-9,4-10)5(11)1-6(12)13;/h5H,1-4,11H2,(H,12,13);1H
InChIKeyBEJBMJPYIIXFDK-UHFFFAOYSA-N
XLogP1.11
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.63
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 173286235
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(3S)-3-amino-4,4,5,5,5-pentafluoropentanoic acid
CID 135081165
3-amino-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid
CID 10575809
3-amino-4,4-dimethylhexanoic acid
CID 131229522
(3S)-3-aminobutanoic acid;hydrochloride
CID 2761505
2-(15N)azanyl(113C)butanedioic acid;hydrochloride
CID 171689483
4-fluoro-3,3-bis(fluoromethyl)-2-hydroxybutanoic acid
CID 171487046
3-amino-3-cyclopropylpropanoic acid;hydrochloride
CID 155887796
(3S)-4-amino-3-fluorobutanoic acid;hydrochloride
CID 155906053
(2S)-2,3-diaminopentanedioic acid;dihydrochloride
CID 156620465
(1S)-1-aminopropane-1,2,3-tricarboxylic acid
CID 20605454

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4,4-bis(fluoromethyl)pentanoic acid;hydrochloride?
The IUPAC name of 3-amino-5-fluoro-4,4-bis(fluoromethyl)pentanoic acid;hydrochloride (CID 174838740) is 3-amino-5-fluoro-4,4-bis(fluoromethyl)pentanoic acid;hydrochloride.
What is the SMILES notation for 3-amino-5-fluoro-4,4-bis(fluoromethyl)pentanoic acid;hydrochloride?
The canonical SMILES for 3-amino-5-fluoro-4,4-bis(fluoromethyl)pentanoic acid;hydrochloride is Cl.NC(CC(=O)O)C(CF)(CF)CF.
What is the InChIKey of 3-amino-5-fluoro-4,4-bis(fluoromethyl)pentanoic acid;hydrochloride?
The InChIKey is BEJBMJPYIIXFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2.ClH/c8-2-7(3-9,4-10)5(11)1-6(12)13;/h5H,1-4,11H2,(H,12,13);1H.
What are the key properties of 3-amino-5-fluoro-4,4-bis(fluoromethyl)pentanoic acid;hydrochloride?
3-amino-5-fluoro-4,4-bis(fluoromethyl)pentanoic acid;hydrochloride has a molecular weight of 235.63 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-4,4-bis(fluoromethyl)pentanoic acid;hydrochloride is sourced from PubChem (CID 174838740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).