2-amino-N-(2,2-difluoroethyl)-3-methylpentanamide

C8H16F2N2O — CID 81489680

IUPAC2-amino-N-(2,2-difluoroethyl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCC(F)F
InChIInChI=1S/C8H16F2N2O/c1-3-5(2)7(11)8(13)12-4-6(9)10/h5-7H,3-4,11H2,1-2H3,(H,12,13)
InChIKeyMJVHPZJKCDUOJX-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.74
Rot. Bonds5

About 2-amino-N-(2,2-difluoroethyl)-3-methylpentanamide

2-amino-N-(2,2-difluoroethyl)-3-methylpentanamide (PubChem CID 81489680) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is 2-amino-N-(2,2-difluoroethyl)-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(2,2-difluoroethyl)-3-methylpentanamide
PubChem CID81489680
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC Name2-amino-N-(2,2-difluoroethyl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCC(F)F
InChIInChI=1S/C8H16F2N2O/c1-3-5(2)7(11)8(13)12-4-6(9)10/h5-7H,3-4,11H2,1-2H3,(H,12,13)
InChIKeyMJVHPZJKCDUOJX-UHFFFAOYSA-N
XLogP0.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide
CID 93083392
2-amino-3-methyl-N-(2-methylbutyl)pentanamide
CID 62693739
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
(2S,3S)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-methylpentanamide
CID 103950762
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylpropanoic acid
CID 62669365
(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-3-methylpentanamide
CID 103833109
ethyl 3-[(2-amino-3-methylpentanoyl)amino]-2-methylpropanoate
CID 119789263
2-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]butanoic acid
CID 65224036
(2S)-3-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-hydroxypropanoic acid
CID 107835948
2-amino-N-(2-cyclopropylpropyl)-3-methylpentanamide
CID 115738557
2-amino-N-(4-hydroxy-2-methylpentyl)-3-methylpentanamide;hydrochloride
CID 119799959
N-(2-acetamidoethyl)-2-amino-3-methylpentanamide
CID 43552884

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-difluoroethyl)-3-methylpentanamide?
The IUPAC name of 2-amino-N-(2,2-difluoroethyl)-3-methylpentanamide (CID 81489680) is 2-amino-N-(2,2-difluoroethyl)-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-(2,2-difluoroethyl)-3-methylpentanamide?
The canonical SMILES for 2-amino-N-(2,2-difluoroethyl)-3-methylpentanamide is CCC(C)C(N)C(=O)NCC(F)F.
What is the InChIKey of 2-amino-N-(2,2-difluoroethyl)-3-methylpentanamide?
The InChIKey is MJVHPZJKCDUOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c1-3-5(2)7(11)8(13)12-4-6(9)10/h5-7H,3-4,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-N-(2,2-difluoroethyl)-3-methylpentanamide?
2-amino-N-(2,2-difluoroethyl)-3-methylpentanamide has a molecular weight of 194.22 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-difluoroethyl)-3-methylpentanamide is sourced from PubChem (CID 81489680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).