N,N-diethyl-3,3,3-trifluoropropanamide

C7H12F3NO — CID 14383591

IUPACN,N-diethyl-3,3,3-trifluoropropanamide
SMILESCCN(CC)C(=O)CC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-3-11(4-2)6(12)5-7(8,9)10/h3-5H2,1-2H3
InChIKeyHEELAURFSABMDX-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.81
Rot. Bonds3

About N,N-diethyl-3,3,3-trifluoropropanamide

N,N-diethyl-3,3,3-trifluoropropanamide (PubChem CID 14383591) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is N,N-diethyl-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN,N-diethyl-3,3,3-trifluoropropanamide
PubChem CID14383591
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC NameN,N-diethyl-3,3,3-trifluoropropanamide
SMILESCCN(CC)C(=O)CC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-3-11(4-2)6(12)5-7(8,9)10/h3-5H2,1-2H3
InChIKeyHEELAURFSABMDX-UHFFFAOYSA-N
XLogP1.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,3,3-trifluoropropanamide?
The IUPAC name of N,N-diethyl-3,3,3-trifluoropropanamide (CID 14383591) is N,N-diethyl-3,3,3-trifluoropropanamide.
What is the SMILES notation for N,N-diethyl-3,3,3-trifluoropropanamide?
The canonical SMILES for N,N-diethyl-3,3,3-trifluoropropanamide is CCN(CC)C(=O)CC(F)(F)F.
What is the InChIKey of N,N-diethyl-3,3,3-trifluoropropanamide?
The InChIKey is HEELAURFSABMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-3-11(4-2)6(12)5-7(8,9)10/h3-5H2,1-2H3.
What are the key properties of N,N-diethyl-3,3,3-trifluoropropanamide?
N,N-diethyl-3,3,3-trifluoropropanamide has a molecular weight of 183.17 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,3,3-trifluoropropanamide is sourced from PubChem (CID 14383591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).