2-amino-5,5-difluorocyclohexane-1-carboxylic acid

C7H11F2NO2 — CID 83854797

IUPAC2-amino-5,5-difluorocyclohexane-1-carboxylic acid
SMILESNC1CCC(F)(F)CC1C(=O)O
InChIInChI=1S/C7H11F2NO2/c8-7(9)2-1-5(10)4(3-7)6(11)12/h4-5H,1-3,10H2,(H,11,12)
InChIKeyRSVAIHOCCKHLPE-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.83
Rot. Bonds1

About 2-amino-5,5-difluorocyclohexane-1-carboxylic acid

2-amino-5,5-difluorocyclohexane-1-carboxylic acid (PubChem CID 83854797) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2-amino-5,5-difluorocyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-amino-5,5-difluorocyclohexane-1-carboxylic acid
PubChem CID83854797
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name2-amino-5,5-difluorocyclohexane-1-carboxylic acid
SMILESNC1CCC(F)(F)CC1C(=O)O
InChIInChI=1S/C7H11F2NO2/c8-7(9)2-1-5(10)4(3-7)6(11)12/h4-5H,1-3,10H2,(H,11,12)
InChIKeyRSVAIHOCCKHLPE-UHFFFAOYSA-N
XLogP0.83
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5-difluorocyclohexane-1-carboxylic acid?
The IUPAC name of 2-amino-5,5-difluorocyclohexane-1-carboxylic acid (CID 83854797) is 2-amino-5,5-difluorocyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-amino-5,5-difluorocyclohexane-1-carboxylic acid?
The canonical SMILES for 2-amino-5,5-difluorocyclohexane-1-carboxylic acid is NC1CCC(F)(F)CC1C(=O)O.
What is the InChIKey of 2-amino-5,5-difluorocyclohexane-1-carboxylic acid?
The InChIKey is RSVAIHOCCKHLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c8-7(9)2-1-5(10)4(3-7)6(11)12/h4-5H,1-3,10H2,(H,11,12).
What are the key properties of 2-amino-5,5-difluorocyclohexane-1-carboxylic acid?
2-amino-5,5-difluorocyclohexane-1-carboxylic acid has a molecular weight of 179.17 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5-difluorocyclohexane-1-carboxylic acid is sourced from PubChem (CID 83854797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).