2-amino-5,5-difluoroheptanoic acid;hydrochloride

C7H14ClF2NO2 — CID 87211692

IUPAC2-amino-5,5-difluoroheptanoic acid;hydrochloride
SMILESCCC(F)(F)CCC(N)C(=O)O.Cl
InChIInChI=1S/C7H13F2NO2.ClH/c1-2-7(8,9)4-3-5(10)6(11)12;/h5H,2-4,10H2,1H3,(H,11,12);1H
InChIKeyIKDDFPXHGFCXBQ-UHFFFAOYSA-N
MW217.64 g/mol
LogP1.65
Rot. Bonds5

About 2-amino-5,5-difluoroheptanoic acid;hydrochloride

2-amino-5,5-difluoroheptanoic acid;hydrochloride (PubChem CID 87211692) has the molecular formula C7H14ClF2NO2 and a molecular weight of 217.64 g/mol. Its IUPAC name is 2-amino-5,5-difluoroheptanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-5,5-difluoroheptanoic acid;hydrochloride
PubChem CID87211692
Molecular FormulaC7H14ClF2NO2
Molecular Weight217.64 g/mol
Exact Mass217.07
IUPAC Name2-amino-5,5-difluoroheptanoic acid;hydrochloride
SMILESCCC(F)(F)CCC(N)C(=O)O.Cl
InChIInChI=1S/C7H13F2NO2.ClH/c1-2-7(8,9)4-3-5(10)6(11)12;/h5H,2-4,10H2,1H3,(H,11,12);1H
InChIKeyIKDDFPXHGFCXBQ-UHFFFAOYSA-N
XLogP1.65
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.64
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2,5,5-triaminohexanoic acid
CID 178040033
(2R)-2-amino(311C)pentanoic acid
CID 55291456
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
2-amino-4,4-difluoropentanoic acid;hydrochloride
CID 87665395
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
(2R)-2-amino-5,5,5-trichloropentanoic acid
CID 118546374
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2-amino-4,4-difluorooctanoic acid;hydrobromide
CID 140532073
(2S,5R)-2,5-diamino-6,6,6-trifluorohexanoic acid
CID 39869181
ethyl (2S)-2-amino-5,5,5-trifluoropentanoate;hydrochloride
CID 154727174
(2S)-2-amino-4,4-dideuteriopentanoic acid
CID 158119315
2-amino-6,6-dimethyl-5-oxooctanoic acid
CID 126684386

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5-difluoroheptanoic acid;hydrochloride?
The IUPAC name of 2-amino-5,5-difluoroheptanoic acid;hydrochloride (CID 87211692) is 2-amino-5,5-difluoroheptanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-5,5-difluoroheptanoic acid;hydrochloride?
The canonical SMILES for 2-amino-5,5-difluoroheptanoic acid;hydrochloride is CCC(F)(F)CCC(N)C(=O)O.Cl.
What is the InChIKey of 2-amino-5,5-difluoroheptanoic acid;hydrochloride?
The InChIKey is IKDDFPXHGFCXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2.ClH/c1-2-7(8,9)4-3-5(10)6(11)12;/h5H,2-4,10H2,1H3,(H,11,12);1H.
What are the key properties of 2-amino-5,5-difluoroheptanoic acid;hydrochloride?
2-amino-5,5-difluoroheptanoic acid;hydrochloride has a molecular weight of 217.64 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5-difluoroheptanoic acid;hydrochloride is sourced from PubChem (CID 87211692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).