N-methyl-N-(2,2,2-trifluoroethyl)propanamide

C6H10F3NO — CID 60758458

IUPACN-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-3-5(11)10(2)4-6(7,8)9/h3-4H2,1-2H3
InChIKeyYHDNDARBDVXYNP-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.42
Rot. Bonds2

About N-methyl-N-(2,2,2-trifluoroethyl)propanamide

N-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 60758458) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID60758458
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-3-5(11)10(2)4-6(7,8)9/h3-4H2,1-2H3
InChIKeyYHDNDARBDVXYNP-UHFFFAOYSA-N
XLogP1.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-Diethylpropionamide
CID 66191
N,N-Diethyl-2,2,2-trifluoroacetamide
CID 225443
3,3,3-trifluoro-N,N-dimethylpropanamide
CID 15104044
N,N-Dibutyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 617533
N,N-Diethyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 5051020
N,N-Diethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 2748458
N,N-diethyl-2,2,3,3-tetrafluoropropanamide
CID 136233
N,N-Dibutyl-2,2,2-trifluoroacetamide
CID 307195
N-Methyl-N-n-butyltrifluoroacetamide
CID 587692
Acetic acid, trifluoro, N,N-dipropyl
CID 524010
N,N-Diethyl-2,3,3,3-tetrafluoropropionamide
CID 2774042
N,N-Diethyl-2,2-difluoroacetamide
CID 12557633

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 60758458) is N-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)propanamide is CCC(=O)N(C)CC(F)(F)F.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is YHDNDARBDVXYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-3-5(11)10(2)4-6(7,8)9/h3-4H2,1-2H3.
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
N-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 169.15 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 60758458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).