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

C6H9F2NO2 — CID 5275652

IUPACcis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid
SMILESN[C@H]1CC(F)(F)C[C@H]1C(=O)O
InChIInChI=1S/C6H9F2NO2/c7-6(8)1-3(5(10)11)4(9)2-6/h3-4H,1-2,9H2,(H,10,11)/t3-,4+/m1/s1
InChIKeySOBKXLAGVGFGCU-DMTCNVIQSA-N
MW165.14 g/mol
LogP0.44
Rot. Bonds1

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

cis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid (PubChem CID 5275652) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is cis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid
PubChem CID5275652
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Namecis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid
SMILESN[C@H]1CC(F)(F)C[C@H]1C(=O)O
InChIInChI=1S/C6H9F2NO2/c7-6(8)1-3(5(10)11)4(9)2-6/h3-4H,1-2,9H2,(H,10,11)/t3-,4+/m1/s1
InChIKeySOBKXLAGVGFGCU-DMTCNVIQSA-N
XLogP0.44
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 50.44
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?
The IUPAC name of cis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid (CID 5275652) is cis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid is 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?
The InChIKey is SOBKXLAGVGFGCU-DMTCNVIQSA-N. The full InChI is InChI=1S/C6H9F2NO2/c7-6(8)1-3(5(10)11)4(9)2-6/h3-4H,1-2,9H2,(H,10,11)/t3-,4+/m1/s1.
What are the key properties of cis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid?
cis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid has a molecular weight of 165.14 g/mol, XLogP of 0.44, 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 is sourced from PubChem (CID 5275652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).