4-(2,2-difluoroethylamino)cyclohexane-1-carboxylic acid

C9H15F2NO2 — CID 60922417

IUPAC4-(2,2-difluoroethylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCC(F)F)CC1
InChIInChI=1S/C9H15F2NO2/c10-8(11)5-12-7-3-1-6(2-4-7)9(13)14/h6-8,12H,1-5H2,(H,13,14)
InChIKeyIUXZEJHPRPUWDG-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.48
Rot. Bonds4

About 4-(2,2-difluoroethylamino)cyclohexane-1-carboxylic acid

4-(2,2-difluoroethylamino)cyclohexane-1-carboxylic acid (PubChem CID 60922417) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 4-(2,2-difluoroethylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-difluoroethylamino)cyclohexane-1-carboxylic acid
PubChem CID60922417
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name4-(2,2-difluoroethylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCC(F)F)CC1
InChIInChI=1S/C9H15F2NO2/c10-8(11)5-12-7-3-1-6(2-4-7)9(13)14/h6-8,12H,1-5H2,(H,13,14)
InChIKeyIUXZEJHPRPUWDG-UHFFFAOYSA-N
XLogP1.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2,2-difluoroethylamino)cyclohexane-1-carboxylic acid (CID 60922417) is 4-(2,2-difluoroethylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2,2-difluoroethylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2,2-difluoroethylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NCC(F)F)CC1.
What is the InChIKey of 4-(2,2-difluoroethylamino)cyclohexane-1-carboxylic acid?
The InChIKey is IUXZEJHPRPUWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c10-8(11)5-12-7-3-1-6(2-4-7)9(13)14/h6-8,12H,1-5H2,(H,13,14).
What are the key properties of 4-(2,2-difluoroethylamino)cyclohexane-1-carboxylic acid?
4-(2,2-difluoroethylamino)cyclohexane-1-carboxylic acid has a molecular weight of 207.22 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60922417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).