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

C5H10ClF2NO2 — CID 105443974

IUPAC4-amino-5,5-difluoropentanoic acid;hydrochloride
SMILESCl.NC(CCC(=O)O)C(F)F
InChIInChI=1S/C5H9F2NO2.ClH/c6-5(7)3(8)1-2-4(9)10;/h3,5H,1-2,8H2,(H,9,10);1H
InChIKeyABXGFQVEKKCPHS-UHFFFAOYSA-N
MW189.59 g/mol
LogP0.87
Rot. Bonds4

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

4-amino-5,5-difluoropentanoic acid;hydrochloride (PubChem CID 105443974) has the molecular formula C5H10ClF2NO2 and a molecular weight of 189.59 g/mol. Its IUPAC name is 4-amino-5,5-difluoropentanoic acid;hydrochloride.

Molecular Properties

Compound Name4-amino-5,5-difluoropentanoic acid;hydrochloride
PubChem CID105443974
Molecular FormulaC5H10ClF2NO2
Molecular Weight189.59 g/mol
Exact Mass189.04
IUPAC Name4-amino-5,5-difluoropentanoic acid;hydrochloride
SMILESCl.NC(CCC(=O)O)C(F)F
InChIInChI=1S/C5H9F2NO2.ClH/c6-5(7)3(8)1-2-4(9)10;/h3,5H,1-2,8H2,(H,9,10);1H
InChIKeyABXGFQVEKKCPHS-UHFFFAOYSA-N
XLogP0.87
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.59
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Aminobutyric Acid
CID 223130
4-Aminovaleric acid, (R)-
CID 444458
(4S)-4-Aminopentanoic acid
CID 5312968
5-Fluoronorvaline
CID 101662
5,5,5-Trifluoro-DL-norvaline
CID 253377
4-Amino-5-fluoropentanoic acid
CID 130363
(4S,5R)-4-amino-5-fluorohexanoic acid
CID 71524820
(4S,5S)-4-amino-5-fluorohexanoic acid
CID 71524821
(4R,5R)-4-amino-5-fluorohexanoic acid
CID 71524822
(S)-2-Amino-5,5,5-trifluoropentanoic acid
CID 7177179
4-Aminovaleric acid hydrochloride
CID 12338835
(4S)-4-amino-5-fluoropentanoic acid hydrochloride
CID 12593795

Frequently Asked Questions

What is the IUPAC name of 4-amino-5,5-difluoropentanoic acid;hydrochloride?
The IUPAC name of 4-amino-5,5-difluoropentanoic acid;hydrochloride (CID 105443974) is 4-amino-5,5-difluoropentanoic acid;hydrochloride.
What is the SMILES notation for 4-amino-5,5-difluoropentanoic acid;hydrochloride?
The canonical SMILES for 4-amino-5,5-difluoropentanoic acid;hydrochloride is Cl.NC(CCC(=O)O)C(F)F.
What is the InChIKey of 4-amino-5,5-difluoropentanoic acid;hydrochloride?
The InChIKey is ABXGFQVEKKCPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2.ClH/c6-5(7)3(8)1-2-4(9)10;/h3,5H,1-2,8H2,(H,9,10);1H.
What are the key properties of 4-amino-5,5-difluoropentanoic acid;hydrochloride?
4-amino-5,5-difluoropentanoic acid;hydrochloride has a molecular weight of 189.59 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,5-difluoropentanoic acid;hydrochloride is sourced from PubChem (CID 105443974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).