N-[(2S)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C8H11F6NO — CID 7039939

IUPACN-[(2S)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCC[C@H](C)NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6NO/c1-3-4(2)15-6(16)5(7(9,10)11)8(12,13)14/h4-5H,3H2,1-2H3,(H,15,16)/t4-/m0/s1
InChIKeyUFCZAUMJXYUNES-BYPYZUCNSA-N
MW251.17 g/mol
LogP2.64
Rot. Bonds3

About N-[(2S)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-[(2S)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 7039939) has the molecular formula C8H11F6NO and a molecular weight of 251.17 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID7039939
Molecular FormulaC8H11F6NO
Molecular Weight251.17 g/mol
Exact Mass251.07
IUPAC NameN-[(2S)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCC[C@H](C)NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6NO/c1-3-4(2)15-6(16)5(7(9,10)11)8(12,13)14/h4-5H,3H2,1-2H3,(H,15,16)/t4-/m0/s1
InChIKeyUFCZAUMJXYUNES-BYPYZUCNSA-N
XLogP2.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.17
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-butan-2-yl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 2748455
N-(1-bromopropan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103311032
N-(1-bromobutan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103311024
N-[(2R)-butan-2-yl]-2-methylbutanamide
CID 88542995
1-[(2R)-butan-2-yl]-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea
CID 2276888
3,3,3-trifluoro-N-pent-1-yn-3-yl-2-(trifluoromethyl)propanamide
CID 106227765
(2R)-N-[(2S)-butan-2-yl]-2-chloropropanamide
CID 14711535
N-butan-2-yl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide
CID 3588417
N-(4-chloro-3-methylbutan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103311074
(2S)-N-butan-2-yl-2-(methylamino)propanamide
CID 130563801
N-(1-amino-4-methylpentan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310367
N-butan-2-yl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide
CID 106212364

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-[(2S)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 7039939) is N-[(2S)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is CC[C@H](C)NC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[(2S)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is UFCZAUMJXYUNES-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H11F6NO/c1-3-4(2)15-6(16)5(7(9,10)11)8(12,13)14/h4-5H,3H2,1-2H3,(H,15,16)/t4-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-[(2S)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 251.17 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 7039939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).