4-amino-5,5,5-trifluoropentanoic acid;hydrochloride

C5H9ClF3NO2 — CID 75596179

IUPAC4-amino-5,5,5-trifluoropentanoic acid;hydrochloride
SMILESCl.NC(CCC(=O)O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2.ClH/c6-5(7,8)3(9)1-2-4(10)11;/h3H,1-2,9H2,(H,10,11);1H
InChIKeyPBVOWYVDAMNWQT-UHFFFAOYSA-N
MW207.58 g/mol
LogP1.16
Rot. Bonds3

About 4-amino-5,5,5-trifluoropentanoic acid;hydrochloride

4-amino-5,5,5-trifluoropentanoic acid;hydrochloride (PubChem CID 75596179) has the molecular formula C5H9ClF3NO2 and a molecular weight of 207.58 g/mol. Its IUPAC name is 4-amino-5,5,5-trifluoropentanoic acid;hydrochloride.

Molecular Properties

Compound Name4-amino-5,5,5-trifluoropentanoic acid;hydrochloride
PubChem CID75596179
Molecular FormulaC5H9ClF3NO2
Molecular Weight207.58 g/mol
Exact Mass207.03
IUPAC Name4-amino-5,5,5-trifluoropentanoic acid;hydrochloride
SMILESCl.NC(CCC(=O)O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2.ClH/c6-5(7,8)3(9)1-2-4(10)11;/h3H,1-2,9H2,(H,10,11);1H
InChIKeyPBVOWYVDAMNWQT-UHFFFAOYSA-N
XLogP1.16
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.58
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 444458
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CID 101662
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CID 253377
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CID 130363
CID 130363
CID 71524820
CID 71524820
CID 71524821
CID 71524821
CID 71524822
CID 71524822
CID 7177179
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CID 12338835
CID 12338835
CID 12593795
CID 12593795

Frequently Asked Questions

What is the IUPAC name of 4-amino-5,5,5-trifluoropentanoic acid;hydrochloride?
The IUPAC name of 4-amino-5,5,5-trifluoropentanoic acid;hydrochloride (CID 75596179) is 4-amino-5,5,5-trifluoropentanoic acid;hydrochloride.
What is the SMILES notation for 4-amino-5,5,5-trifluoropentanoic acid;hydrochloride?
The canonical SMILES for 4-amino-5,5,5-trifluoropentanoic acid;hydrochloride is Cl.NC(CCC(=O)O)C(F)(F)F.
What is the InChIKey of 4-amino-5,5,5-trifluoropentanoic acid;hydrochloride?
The InChIKey is PBVOWYVDAMNWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2.ClH/c6-5(7,8)3(9)1-2-4(10)11;/h3H,1-2,9H2,(H,10,11);1H.
What are the key properties of 4-amino-5,5,5-trifluoropentanoic acid;hydrochloride?
4-amino-5,5,5-trifluoropentanoic acid;hydrochloride has a molecular weight of 207.58 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,5,5-trifluoropentanoic acid;hydrochloride is sourced from PubChem (CID 75596179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).