(2S)-N,N-dimethyl-2-(trifluoromethyl)pentanamide

C8H14F3NO — CID 146165236

IUPAC(2S)-N,N-dimethyl-2-(trifluoromethyl)pentanamide
SMILESCCC[C@@H](C(=O)N(C)C)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-4-5-6(8(9,10)11)7(13)12(2)3/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyJXAXCRPKSIRZKF-LURJTMIESA-N
MW197.20 g/mol
LogP2.05
Rot. Bonds3

About (2S)-N,N-dimethyl-2-(trifluoromethyl)pentanamide

(2S)-N,N-dimethyl-2-(trifluoromethyl)pentanamide (PubChem CID 146165236) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-(trifluoromethyl)pentanamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-(trifluoromethyl)pentanamide
PubChem CID146165236
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name(2S)-N,N-dimethyl-2-(trifluoromethyl)pentanamide
SMILESCCC[C@@H](C(=O)N(C)C)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-4-5-6(8(9,10)11)7(13)12(2)3/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyJXAXCRPKSIRZKF-LURJTMIESA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethyl-2-(trifluoromethyl)pentanamide
CID 87943256
N,N,2-trimethylpentanamide
CID 4477108
N-ethyl-2-propyl-N-(trifluoromethyl)pentanamide
CID 44550873
N,N-diethyl-3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanamide
CID 12686759
3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2-(trifluoromethyl)pentanamide
CID 13196949
N,N-Diethyl-4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanamide
CID 23266384
N,N,4-trimethylpentanamide
CID 12509281
4,4-difluoro-N,N,2-trimethylbutanamide
CID 20766334
2,2-Difluoro-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 57700536
2,2-Difluoro-4-methyl-1-piperidin-1-ylpentan-1-one
CID 57700661
3,3-difluoro-N,N-dimethylcyclobutane-1-carboxamide
CID 57988832
2,2-difluoro-N,N,4-trimethylpentanamide
CID 59458822

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-(trifluoromethyl)pentanamide?
The IUPAC name of (2S)-N,N-dimethyl-2-(trifluoromethyl)pentanamide (CID 146165236) is (2S)-N,N-dimethyl-2-(trifluoromethyl)pentanamide.
What is the SMILES notation for (2S)-N,N-dimethyl-2-(trifluoromethyl)pentanamide?
The canonical SMILES for (2S)-N,N-dimethyl-2-(trifluoromethyl)pentanamide is CCC[C@@H](C(=O)N(C)C)C(F)(F)F.
What is the InChIKey of (2S)-N,N-dimethyl-2-(trifluoromethyl)pentanamide?
The InChIKey is JXAXCRPKSIRZKF-LURJTMIESA-N. The full InChI is InChI=1S/C8H14F3NO/c1-4-5-6(8(9,10)11)7(13)12(2)3/h6H,4-5H2,1-3H3/t6-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-2-(trifluoromethyl)pentanamide?
(2S)-N,N-dimethyl-2-(trifluoromethyl)pentanamide has a molecular weight of 197.20 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-(trifluoromethyl)pentanamide is sourced from PubChem (CID 146165236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).