N,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide

C8H14F3NO — CID 131982968

IUPACN,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)CC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-6(2)4-7(13)12(3)5-8(9,10)11/h6H,4-5H2,1-3H3
InChIKeyRYPZIOCODNEZMO-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.05
Rot. Bonds3

About N,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide

N,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 131982968) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is N,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID131982968
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC NameN,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)CC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-6(2)4-7(13)12(3)5-8(9,10)11/h6H,4-5H2,1-3H3
InChIKeyRYPZIOCODNEZMO-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of N,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide (CID 131982968) is N,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for N,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for N,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide is CC(C)CC(=O)N(C)CC(F)(F)F.
What is the InChIKey of N,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is RYPZIOCODNEZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-6(2)4-7(13)12(3)5-8(9,10)11/h6H,4-5H2,1-3H3.
What are the key properties of N,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
N,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 197.20 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 131982968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).