(2R)-2-amino-N-(2,2-difluoroethyl)-N,4-dimethylpentanamide

C9H18F2N2O — CID 104904051

IUPAC(2R)-2-amino-N-(2,2-difluoroethyl)-N,4-dimethylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)N(C)CC(F)F
InChIInChI=1S/C9H18F2N2O/c1-6(2)4-7(12)9(14)13(3)5-8(10)11/h6-8H,4-5,12H2,1-3H3/t7-/m1/s1
InChIKeyYEHJJTWPNNHVFJ-SSDOTTSWSA-N
MW208.25 g/mol
LogP1.08
Rot. Bonds5

About (2R)-2-amino-N-(2,2-difluoroethyl)-N,4-dimethylpentanamide

(2R)-2-amino-N-(2,2-difluoroethyl)-N,4-dimethylpentanamide (PubChem CID 104904051) has the molecular formula C9H18F2N2O and a molecular weight of 208.25 g/mol. Its IUPAC name is (2R)-2-amino-N-(2,2-difluoroethyl)-N,4-dimethylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2,2-difluoroethyl)-N,4-dimethylpentanamide
PubChem CID104904051
Molecular FormulaC9H18F2N2O
Molecular Weight208.25 g/mol
Exact Mass208.14
IUPAC Name(2R)-2-amino-N-(2,2-difluoroethyl)-N,4-dimethylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)N(C)CC(F)F
InChIInChI=1S/C9H18F2N2O/c1-6(2)4-7(12)9(14)13(3)5-8(10)11/h6-8H,4-5,12H2,1-3H3/t7-/m1/s1
InChIKeyYEHJJTWPNNHVFJ-SSDOTTSWSA-N
XLogP1.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-amino-2-oxoethyl)-N,4-dimethylpentanamide
CID 61154178
(2S)-2-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide;hydrochloride
CID 119818699
(2R)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,4-dimethylpentanamide
CID 104902620
2-amino-N,4-dimethylpentanehydrazide
CID 116848873
(2S)-2-amino-N-(2,2-difluoroethyl)-N-methyl-4-methylsulfanylbutanamide
CID 103795919
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride
CID 119687384
methyl 2-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]acetate
CID 104903114
(2S)-2-amino-N-(2-methoxyethyl)-N,4-dimethylpentanamide
CID 61159296
(2S)-2-amino-N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pentanamide
CID 61164738
2-amino-N,4-dimethyl-N-(2-methylsulfonylethyl)pentanamide
CID 79858881
(2R)-2-amino-N,4-dimethyl-N-(2-propan-2-yloxyethyl)pentanamide
CID 104903767
(2S)-2-amino-N,4-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 61165022

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2,2-difluoroethyl)-N,4-dimethylpentanamide?
The IUPAC name of (2R)-2-amino-N-(2,2-difluoroethyl)-N,4-dimethylpentanamide (CID 104904051) is (2R)-2-amino-N-(2,2-difluoroethyl)-N,4-dimethylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-(2,2-difluoroethyl)-N,4-dimethylpentanamide?
The canonical SMILES for (2R)-2-amino-N-(2,2-difluoroethyl)-N,4-dimethylpentanamide is CC(C)C[C@@H](N)C(=O)N(C)CC(F)F.
What is the InChIKey of (2R)-2-amino-N-(2,2-difluoroethyl)-N,4-dimethylpentanamide?
The InChIKey is YEHJJTWPNNHVFJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H18F2N2O/c1-6(2)4-7(12)9(14)13(3)5-8(10)11/h6-8H,4-5,12H2,1-3H3/t7-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2,2-difluoroethyl)-N,4-dimethylpentanamide?
(2R)-2-amino-N-(2,2-difluoroethyl)-N,4-dimethylpentanamide has a molecular weight of 208.25 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2,2-difluoroethyl)-N,4-dimethylpentanamide is sourced from PubChem (CID 104904051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).