3-amino-N-cyclohexyl-2,2-difluoropropanamide

C9H16F2N2O — CID 130600798

IUPAC3-amino-N-cyclohexyl-2,2-difluoropropanamide
SMILESNCC(F)(F)C(=O)NC1CCCCC1
InChIInChI=1S/C9H16F2N2O/c10-9(11,6-12)8(14)13-7-4-2-1-3-5-7/h7H,1-6,12H2,(H,13,14)
InChIKeyJKXHGRVLFUESLZ-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.03
Rot. Bonds3

About 3-amino-N-cyclohexyl-2,2-difluoropropanamide

3-amino-N-cyclohexyl-2,2-difluoropropanamide (PubChem CID 130600798) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-amino-N-cyclohexyl-2,2-difluoropropanamide.

Molecular Properties

Compound Name3-amino-N-cyclohexyl-2,2-difluoropropanamide
PubChem CID130600798
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name3-amino-N-cyclohexyl-2,2-difluoropropanamide
SMILESNCC(F)(F)C(=O)NC1CCCCC1
InChIInChI=1S/C9H16F2N2O/c10-9(11,6-12)8(14)13-7-4-2-1-3-5-7/h7H,1-6,12H2,(H,13,14)
InChIKeyJKXHGRVLFUESLZ-UHFFFAOYSA-N
XLogP1.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclohexyl-2,2-difluoropropanamide?
The IUPAC name of 3-amino-N-cyclohexyl-2,2-difluoropropanamide (CID 130600798) is 3-amino-N-cyclohexyl-2,2-difluoropropanamide.
What is the SMILES notation for 3-amino-N-cyclohexyl-2,2-difluoropropanamide?
The canonical SMILES for 3-amino-N-cyclohexyl-2,2-difluoropropanamide is NCC(F)(F)C(=O)NC1CCCCC1.
What is the InChIKey of 3-amino-N-cyclohexyl-2,2-difluoropropanamide?
The InChIKey is JKXHGRVLFUESLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c10-9(11,6-12)8(14)13-7-4-2-1-3-5-7/h7H,1-6,12H2,(H,13,14).
What are the key properties of 3-amino-N-cyclohexyl-2,2-difluoropropanamide?
3-amino-N-cyclohexyl-2,2-difluoropropanamide has a molecular weight of 206.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclohexyl-2,2-difluoropropanamide is sourced from PubChem (CID 130600798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).