(2R)-4,4,4-trifluoro-2-methyl-N-[(1S)-1-phenylethyl]butanamide

C13H16F3NO — CID 10967206

IUPAC(2R)-4,4,4-trifluoro-2-methyl-N-[(1S)-1-phenylethyl]butanamide
SMILESC[C@H](CC(F)(F)F)C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C13H16F3NO/c1-9(8-13(14,15)16)12(18)17-10(2)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,17,18)/t9-,10+/m1/s1
InChIKeyNABPCZQQPQAPOW-ZJUUUORDSA-N
MW259.27 g/mol
LogP3.45
Rot. Bonds4

About (2R)-4,4,4-trifluoro-2-methyl-N-[(1S)-1-phenylethyl]butanamide

(2R)-4,4,4-trifluoro-2-methyl-N-[(1S)-1-phenylethyl]butanamide (PubChem CID 10967206) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is (2R)-4,4,4-trifluoro-2-methyl-N-[(1S)-1-phenylethyl]butanamide.

Molecular Properties

Compound Name(2R)-4,4,4-trifluoro-2-methyl-N-[(1S)-1-phenylethyl]butanamide
PubChem CID10967206
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name(2R)-4,4,4-trifluoro-2-methyl-N-[(1S)-1-phenylethyl]butanamide
SMILESC[C@H](CC(F)(F)F)C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C13H16F3NO/c1-9(8-13(14,15)16)12(18)17-10(2)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,17,18)/t9-,10+/m1/s1
InChIKeyNABPCZQQPQAPOW-ZJUUUORDSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

di(imidazol-1-yl)methanone;(2R)-4,4,4-trifluoro-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 161027435
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
2-methyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]propanamide
CID 102214409
(2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide
CID 42563153
2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669709
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
(2S)-2,4-dimethyl-N-[(1S)-1-phenylethyl]pent-4-enamide
CID 135041041
(2S)-4-fluoro-4-methyl-2-[[(1S)-1-phenylethyl]amino]pentanoic acid
CID 163478461
(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
CID 54419404
(2S)-2-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 92978612
2-(methylamino)-2-phenyl-N-(1-phenylethyl)acetamide
CID 12739398
(2S)-2-bromo-2-fluoro-N-[(1S)-1-phenylethyl]acetamide
CID 102438860

Frequently Asked Questions

What is the IUPAC name of (2R)-4,4,4-trifluoro-2-methyl-N-[(1S)-1-phenylethyl]butanamide?
The IUPAC name of (2R)-4,4,4-trifluoro-2-methyl-N-[(1S)-1-phenylethyl]butanamide (CID 10967206) is (2R)-4,4,4-trifluoro-2-methyl-N-[(1S)-1-phenylethyl]butanamide.
What is the SMILES notation for (2R)-4,4,4-trifluoro-2-methyl-N-[(1S)-1-phenylethyl]butanamide?
The canonical SMILES for (2R)-4,4,4-trifluoro-2-methyl-N-[(1S)-1-phenylethyl]butanamide is C[C@H](CC(F)(F)F)C(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of (2R)-4,4,4-trifluoro-2-methyl-N-[(1S)-1-phenylethyl]butanamide?
The InChIKey is NABPCZQQPQAPOW-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-9(8-13(14,15)16)12(18)17-10(2)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,17,18)/t9-,10+/m1/s1.
What are the key properties of (2R)-4,4,4-trifluoro-2-methyl-N-[(1S)-1-phenylethyl]butanamide?
(2R)-4,4,4-trifluoro-2-methyl-N-[(1S)-1-phenylethyl]butanamide has a molecular weight of 259.27 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4,4-trifluoro-2-methyl-N-[(1S)-1-phenylethyl]butanamide is sourced from PubChem (CID 10967206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).