3-amino-N-cyclopropyl-2,2-difluorohexanamide

C9H16F2N2O — CID 70313284

IUPAC3-amino-N-cyclopropyl-2,2-difluorohexanamide
SMILESCCCC(N)C(F)(F)C(=O)NC1CC1
InChIInChI=1S/C9H16F2N2O/c1-2-3-7(12)9(10,11)8(14)13-6-4-5-6/h6-7H,2-5,12H2,1H3,(H,13,14)
InChIKeyVIBQQJPSMSMHNN-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.03
Rot. Bonds5

About 3-amino-N-cyclopropyl-2,2-difluorohexanamide

3-amino-N-cyclopropyl-2,2-difluorohexanamide (PubChem CID 70313284) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-2,2-difluorohexanamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-2,2-difluorohexanamide
PubChem CID70313284
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name3-amino-N-cyclopropyl-2,2-difluorohexanamide
SMILESCCCC(N)C(F)(F)C(=O)NC1CC1
InChIInChI=1S/C9H16F2N2O/c1-2-3-7(12)9(10,11)8(14)13-6-4-5-6/h6-7H,2-5,12H2,1H3,(H,13,14)
InChIKeyVIBQQJPSMSMHNN-UHFFFAOYSA-N
XLogP1.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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-cyclopropyl-2,2-difluorohexanamide?
The IUPAC name of 3-amino-N-cyclopropyl-2,2-difluorohexanamide (CID 70313284) is 3-amino-N-cyclopropyl-2,2-difluorohexanamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-2,2-difluorohexanamide?
The canonical SMILES for 3-amino-N-cyclopropyl-2,2-difluorohexanamide is CCCC(N)C(F)(F)C(=O)NC1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-2,2-difluorohexanamide?
The InChIKey is VIBQQJPSMSMHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-2-3-7(12)9(10,11)8(14)13-6-4-5-6/h6-7H,2-5,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-N-cyclopropyl-2,2-difluorohexanamide?
3-amino-N-cyclopropyl-2,2-difluorohexanamide has a molecular weight of 206.24 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-2,2-difluorohexanamide is sourced from PubChem (CID 70313284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).