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

C9H13F6NO — CID 3630421

IUPACN-butan-2-yl-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide
SMILESCCC(C)NC(=O)C(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6NO/c1-4-5(2)16-6(17)7(3,8(10,11)12)9(13,14)15/h5H,4H2,1-3H3,(H,16,17)
InChIKeyJWKOSFMNDBDPOG-UHFFFAOYSA-N
MW265.20 g/mol
LogP3.03
Rot. Bonds3

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

N-butan-2-yl-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide (PubChem CID 3630421) has the molecular formula C9H13F6NO and a molecular weight of 265.20 g/mol. Its IUPAC name is N-butan-2-yl-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide
PubChem CID3630421
Molecular FormulaC9H13F6NO
Molecular Weight265.20 g/mol
Exact Mass265.09
IUPAC NameN-butan-2-yl-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide
SMILESCCC(C)NC(=O)C(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6NO/c1-4-5(2)16-6(17)7(3,8(10,11)12)9(13,14)15/h5H,4H2,1-3H3,(H,16,17)
InChIKeyJWKOSFMNDBDPOG-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide?
The IUPAC name of N-butan-2-yl-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide (CID 3630421) is N-butan-2-yl-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-butan-2-yl-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-butan-2-yl-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide is CCC(C)NC(=O)C(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-butan-2-yl-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide?
The InChIKey is JWKOSFMNDBDPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6NO/c1-4-5(2)16-6(17)7(3,8(10,11)12)9(13,14)15/h5H,4H2,1-3H3,(H,16,17).
What are the key properties of N-butan-2-yl-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide?
N-butan-2-yl-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide has a molecular weight of 265.20 g/mol, XLogP of 3.03, 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-methyl-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 3630421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).