N-butan-2-yl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide

C9H10F9NO — CID 3588417

IUPACN-butan-2-yl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide
SMILESCCC(C)NC(=O)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10F9NO/c1-3-4(2)19-5(20)6(7(10,11)12,8(13,14)15)9(16,17)18/h4H,3H2,1-2H3,(H,19,20)
InChIKeyBRSFZXLHVAJBQV-UHFFFAOYSA-N
MW319.17 g/mol
LogP3.57
Rot. Bonds3

About N-butan-2-yl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide

N-butan-2-yl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide (PubChem CID 3588417) has the molecular formula C9H10F9NO and a molecular weight of 319.17 g/mol. Its IUPAC name is N-butan-2-yl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide
PubChem CID3588417
Molecular FormulaC9H10F9NO
Molecular Weight319.17 g/mol
Exact Mass319.06
IUPAC NameN-butan-2-yl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide
SMILESCCC(C)NC(=O)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10F9NO/c1-3-4(2)19-5(20)6(7(10,11)12,8(13,14)15)9(16,17)18/h4H,3H2,1-2H3,(H,19,20)
InChIKeyBRSFZXLHVAJBQV-UHFFFAOYSA-N
XLogP3.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-butan-2-yl-2,2-bis(trifluoromethyl)butanamide
CID 3326094
2-bromo-N-[(2R)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 163140442
N-[[(2R)-butan-2-yl]carbamoyl]-2,2,2-trifluoroacetamide
CID 163138483
N-butan-2-yl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 2748455
N-[(2S)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 7039939
1-butan-2-yl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
CID 3851301
N-butan-2-yl-2,2-difluoro-2-phenylacetamide
CID 164554338
1-[(2R)-butan-2-yl]-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea
CID 2276888
2-amino-3,3,3-trifluoro-2-methyl-N-pentan-2-ylpropanamide
CID 79790165
N-butan-2-ylcarbamoyl iodide
CID 118554163
N-[(2R)-butan-2-yl]-2-methylbutanamide
CID 88542995
N-(butan-2-ylcarbamothioyl)-2,2-dimethylpropanamide
CID 19187679

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide?
The IUPAC name of N-butan-2-yl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide (CID 3588417) is N-butan-2-yl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide.
What is the SMILES notation for N-butan-2-yl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide?
The canonical SMILES for N-butan-2-yl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide is CCC(C)NC(=O)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-butan-2-yl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide?
The InChIKey is BRSFZXLHVAJBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F9NO/c1-3-4(2)19-5(20)6(7(10,11)12,8(13,14)15)9(16,17)18/h4H,3H2,1-2H3,(H,19,20).
What are the key properties of N-butan-2-yl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide?
N-butan-2-yl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide has a molecular weight of 319.17 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide is sourced from PubChem (CID 3588417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).