cis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid;hydrochloride

C6H10ClF2NO2 — CID 45262187

IUPACcis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid;hydrochloride
SMILESCl.N[C@H]1CC(F)(F)C[C@H]1C(=O)O
InChIInChI=1S/C6H9F2NO2.ClH/c7-6(8)1-3(5(10)11)4(9)2-6;/h3-4H,1-2,9H2,(H,10,11);1H/t3-,4+;/m1./s1
InChIKeyZFQWMNDOPTYVQI-HJXLNUONSA-N
MW201.60 g/mol
LogP0.87
Rot. Bonds1

About cis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid;hydrochloride

cis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid;hydrochloride (PubChem CID 45262187) has the molecular formula C6H10ClF2NO2 and a molecular weight of 201.60 g/mol. Its IUPAC name is cis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Namecis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid;hydrochloride
PubChem CID45262187
Molecular FormulaC6H10ClF2NO2
Molecular Weight201.60 g/mol
Exact Mass201.04
IUPAC Namecis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid;hydrochloride
SMILESCl.N[C@H]1CC(F)(F)C[C@H]1C(=O)O
InChIInChI=1S/C6H9F2NO2.ClH/c7-6(8)1-3(5(10)11)4(9)2-6;/h3-4H,1-2,9H2,(H,10,11);1H/t3-,4+;/m1./s1
InChIKeyZFQWMNDOPTYVQI-HJXLNUONSA-N
XLogP0.87
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.60
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid;hydrochloride?
The IUPAC name of cis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid;hydrochloride (CID 45262187) is cis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for cis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid;hydrochloride?
The canonical SMILES for cis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid;hydrochloride is Cl.N[C@H]1CC(F)(F)C[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid;hydrochloride?
The InChIKey is ZFQWMNDOPTYVQI-HJXLNUONSA-N. The full InChI is InChI=1S/C6H9F2NO2.ClH/c7-6(8)1-3(5(10)11)4(9)2-6;/h3-4H,1-2,9H2,(H,10,11);1H/t3-,4+;/m1./s1.
What are the key properties of cis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid;hydrochloride?
cis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid;hydrochloride has a molecular weight of 201.60 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 45262187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).