N-(3-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide

C9H16F3NO — CID 89301617

IUPACN-(3-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)N(CC(F)(F)F)C(C)C(C)C
InChIInChI=1S/C9H16F3NO/c1-6(2)7(3)13(8(4)14)5-9(10,11)12/h6-7H,5H2,1-4H3
InChIKeyFQXUVDCTWNLJTH-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.44
Rot. Bonds3

About N-(3-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide

N-(3-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 89301617) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID89301617
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN-(3-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)N(CC(F)(F)F)C(C)C(C)C
InChIInChI=1S/C9H16F3NO/c1-6(2)7(3)13(8(4)14)5-9(10,11)12/h6-7H,5H2,1-4H3
InChIKeyFQXUVDCTWNLJTH-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-Diisopropyl-2-methylpropanamide
CID 221978
N,N-Diethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 2748458
N,N-Dibutyl-2,2,2-trifluoroacetamide
CID 307195
Propanamide, 3,3,3-trifluoro-N,N-bis(1-methylethyl)-2-(trifluoromethyl)-
CID 613647
N-t-butyl(dimethyl)-N-methyl-trifluoroacetamide
CID 87957890
2,2,2-Trifluoro-N,N-bis(1-methylethyl)acetamide
CID 587652
N-butyl-2-methyl-N-(trifluoromethyl)butanamide
CID 44550872
N-(2,3-dimethylbutan-2-yl)-2,2,2-trifluoro-N-methylacetamide
CID 91614560
2-[[di(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide
CID 134918056
N,2-dimethyl-N-propan-2-ylpropanamide
CID 18343508
Trifluoroacetamide, N-isopropyl-N-propyl-
CID 539385
Acetamide, 2,2,2-trifluoro-N,N-bis(2-methylpropyl)-
CID 546614

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 89301617) is N-(3-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide is CC(=O)N(CC(F)(F)F)C(C)C(C)C.
What is the InChIKey of N-(3-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FQXUVDCTWNLJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-6(2)7(3)13(8(4)14)5-9(10,11)12/h6-7H,5H2,1-4H3.
What are the key properties of N-(3-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
N-(3-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 211.23 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 89301617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).