N-ethyl-N-(trifluoromethyl)formamide

C4H6F3NO — CID 56616567

IUPACN-ethyl-N-(trifluoromethyl)formamide
SMILESCCN(C=O)C(F)(F)F
InChIInChI=1S/C4H6F3NO/c1-2-8(3-9)4(5,6)7/h3H,2H2,1H3
InChIKeyREPOUOONAKPVOF-UHFFFAOYSA-N
MW141.09 g/mol
LogP0.98
Rot. Bonds2

About N-ethyl-N-(trifluoromethyl)formamide

N-ethyl-N-(trifluoromethyl)formamide (PubChem CID 56616567) has the molecular formula C4H6F3NO and a molecular weight of 141.09 g/mol. Its IUPAC name is N-ethyl-N-(trifluoromethyl)formamide.

Molecular Properties

Compound NameN-ethyl-N-(trifluoromethyl)formamide
PubChem CID56616567
Molecular FormulaC4H6F3NO
Molecular Weight141.09 g/mol
Exact Mass141.04
IUPAC NameN-ethyl-N-(trifluoromethyl)formamide
SMILESCCN(C=O)C(F)(F)F
InChIInChI=1S/C4H6F3NO/c1-2-8(3-9)4(5,6)7/h3H,2H2,1H3
InChIKeyREPOUOONAKPVOF-UHFFFAOYSA-N
XLogP0.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.09
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(1,1-difluoroethyl)-N-methylcarbamoyl fluoride
CID 135080758
N-(2,2,3,4,4,4-hexafluorobutyl)-N-methylformamide
CID 17997699
N-methyl-N-(2,2,2-trifluoroethyl)formamide
CID 18715521
N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylformamide
CID 54251533
N-ethyl-N-(2,2,2-trifluoroethyl)formamide
CID 54553159
N-(difluoromethyl)-N-propan-2-ylformamide
CID 56620564
N,N-bis(2-fluoroethyl)formamide
CID 57432587
N-methyl-N-(3,3,3-trifluoropropyl)formamide
CID 65545886
N-(2-fluoroethyl)-N-methylformamide
CID 87078395
N-(difluoromethyl)-N-ethylformamide
CID 87181998
N-propyl-N-(trifluoromethyl)formamide
CID 87321400
N-(difluoromethyl)-N-propylformamide
CID 87322441

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(trifluoromethyl)formamide?
The IUPAC name of N-ethyl-N-(trifluoromethyl)formamide (CID 56616567) is N-ethyl-N-(trifluoromethyl)formamide.
What is the SMILES notation for N-ethyl-N-(trifluoromethyl)formamide?
The canonical SMILES for N-ethyl-N-(trifluoromethyl)formamide is CCN(C=O)C(F)(F)F.
What is the InChIKey of N-ethyl-N-(trifluoromethyl)formamide?
The InChIKey is REPOUOONAKPVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO/c1-2-8(3-9)4(5,6)7/h3H,2H2,1H3.
What are the key properties of N-ethyl-N-(trifluoromethyl)formamide?
N-ethyl-N-(trifluoromethyl)formamide has a molecular weight of 141.09 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(trifluoromethyl)formamide is sourced from PubChem (CID 56616567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).