N,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide

C8H13F4NO — CID 22091035

IUPACN,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide
SMILESCCN(CC)C(=O)C(CF)C(F)(F)F
InChIInChI=1S/C8H13F4NO/c1-3-13(4-2)7(14)6(5-9)8(10,11)12/h6H,3-5H2,1-2H3
InChIKeyIZTBTJBVTQOTAU-UHFFFAOYSA-N
MW215.19 g/mol
LogP2.00
Rot. Bonds4

About N,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide

N,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide (PubChem CID 22091035) has the molecular formula C8H13F4NO and a molecular weight of 215.19 g/mol. Its IUPAC name is N,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide.

Molecular Properties

Compound NameN,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide
PubChem CID22091035
Molecular FormulaC8H13F4NO
Molecular Weight215.19 g/mol
Exact Mass215.09
IUPAC NameN,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide
SMILESCCN(CC)C(=O)C(CF)C(F)(F)F
InChIInChI=1S/C8H13F4NO/c1-3-13(4-2)7(14)6(5-9)8(10,11)12/h6H,3-5H2,1-2H3
InChIKeyIZTBTJBVTQOTAU-UHFFFAOYSA-N
XLogP2.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.19
LogP ≤ 52.00
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-trifluoro-2-(fluoromethyl)propanamide?
The IUPAC name of N,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide (CID 22091035) is N,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide.
What is the SMILES notation for N,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide?
The canonical SMILES for N,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide is CCN(CC)C(=O)C(CF)C(F)(F)F.
What is the InChIKey of N,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide?
The InChIKey is IZTBTJBVTQOTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4NO/c1-3-13(4-2)7(14)6(5-9)8(10,11)12/h6H,3-5H2,1-2H3.
What are the key properties of N,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide?
N,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide has a molecular weight of 215.19 g/mol, XLogP of 2.00, 4 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-trifluoro-2-(fluoromethyl)propanamide is sourced from PubChem (CID 22091035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).