N-(1-aminopentan-2-yl)-2,2-difluoroacetamide

C7H14F2N2O — CID 103514193

IUPACN-(1-aminopentan-2-yl)-2,2-difluoroacetamide
SMILESCCCC(CN)NC(=O)C(F)F
InChIInChI=1S/C7H14F2N2O/c1-2-3-5(4-10)11-7(12)6(8)9/h5-6H,2-4,10H2,1H3,(H,11,12)
InChIKeyWMDPHMQJQNWXQJ-UHFFFAOYSA-N
MW180.20 g/mol
LogP0.50
Rot. Bonds5

About N-(1-aminopentan-2-yl)-2,2-difluoroacetamide

N-(1-aminopentan-2-yl)-2,2-difluoroacetamide (PubChem CID 103514193) has the molecular formula C7H14F2N2O and a molecular weight of 180.20 g/mol. Its IUPAC name is N-(1-aminopentan-2-yl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(1-aminopentan-2-yl)-2,2-difluoroacetamide
PubChem CID103514193
Molecular FormulaC7H14F2N2O
Molecular Weight180.20 g/mol
Exact Mass180.11
IUPAC NameN-(1-aminopentan-2-yl)-2,2-difluoroacetamide
SMILESCCCC(CN)NC(=O)C(F)F
InChIInChI=1S/C7H14F2N2O/c1-2-3-5(4-10)11-7(12)6(8)9/h5-6H,2-4,10H2,1H3,(H,11,12)
InChIKeyWMDPHMQJQNWXQJ-UHFFFAOYSA-N
XLogP0.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4147050
N-Cyclopentyl-2,2,2-trifluoroacetamide
CID 549344
2,2,2-Trifluoro-n-pentylacetamide
CID 580920
Acetamide, 2,2,2-trifluoro-N-(1-methylbutyl)-
CID 587691
AC1Odwrv
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2-amino-N-(2,2,2-trifluoroethyl)propanamide hydrochloride
CID 45791817
N-[(2R)-1,1,1-trifluorobutan-2-yl]acetamide
CID 121358070
2,2,2-trifluoro-N-(piperidin-4-yl)acetamide
CID 10774253
1,2-Diaminoethane, N-trifluoroacetyl-2,2-dimethyl-
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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-2-yl)-2,2-difluoroacetamide?
The IUPAC name of N-(1-aminopentan-2-yl)-2,2-difluoroacetamide (CID 103514193) is N-(1-aminopentan-2-yl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(1-aminopentan-2-yl)-2,2-difluoroacetamide?
The canonical SMILES for N-(1-aminopentan-2-yl)-2,2-difluoroacetamide is CCCC(CN)NC(=O)C(F)F.
What is the InChIKey of N-(1-aminopentan-2-yl)-2,2-difluoroacetamide?
The InChIKey is WMDPHMQJQNWXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O/c1-2-3-5(4-10)11-7(12)6(8)9/h5-6H,2-4,10H2,1H3,(H,11,12).
What are the key properties of N-(1-aminopentan-2-yl)-2,2-difluoroacetamide?
N-(1-aminopentan-2-yl)-2,2-difluoroacetamide has a molecular weight of 180.20 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-2-yl)-2,2-difluoroacetamide is sourced from PubChem (CID 103514193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).