N,N-diethyl-4,4,4-trifluorobutanamide

C8H14F3NO — CID 14324573

IUPACN,N-diethyl-4,4,4-trifluorobutanamide
SMILESCCN(CC)C(=O)CCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-3-12(4-2)7(13)5-6-8(9,10)11/h3-6H2,1-2H3
InChIKeyKGSBVZHRYSRESZ-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.20
Rot. Bonds4

About N,N-diethyl-4,4,4-trifluorobutanamide

N,N-diethyl-4,4,4-trifluorobutanamide (PubChem CID 14324573) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is N,N-diethyl-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN,N-diethyl-4,4,4-trifluorobutanamide
PubChem CID14324573
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC NameN,N-diethyl-4,4,4-trifluorobutanamide
SMILESCCN(CC)C(=O)CCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-3-12(4-2)7(13)5-6-8(9,10)11/h3-6H2,1-2H3
InChIKeyKGSBVZHRYSRESZ-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4,4,4-trifluorobutanamide?
The IUPAC name of N,N-diethyl-4,4,4-trifluorobutanamide (CID 14324573) is N,N-diethyl-4,4,4-trifluorobutanamide.
What is the SMILES notation for N,N-diethyl-4,4,4-trifluorobutanamide?
The canonical SMILES for N,N-diethyl-4,4,4-trifluorobutanamide is CCN(CC)C(=O)CCC(F)(F)F.
What is the InChIKey of N,N-diethyl-4,4,4-trifluorobutanamide?
The InChIKey is KGSBVZHRYSRESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-3-12(4-2)7(13)5-6-8(9,10)11/h3-6H2,1-2H3.
What are the key properties of N,N-diethyl-4,4,4-trifluorobutanamide?
N,N-diethyl-4,4,4-trifluorobutanamide has a molecular weight of 197.20 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4,4,4-trifluorobutanamide is sourced from PubChem (CID 14324573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).