N-ethyl-N-(2,2,2-trifluoroethyl)formamide

C5H8F3NO — CID 54553159

IUPACN-ethyl-N-(2,2,2-trifluoroethyl)formamide
SMILESCCN(C=O)CC(F)(F)F
InChIInChI=1S/C5H8F3NO/c1-2-9(4-10)3-5(6,7)8/h4H,2-3H2,1H3
InChIKeyLRZCCQSEXMUQQV-UHFFFAOYSA-N
MW155.12 g/mol
LogP1.03
Rot. Bonds3

About N-ethyl-N-(2,2,2-trifluoroethyl)formamide

N-ethyl-N-(2,2,2-trifluoroethyl)formamide (PubChem CID 54553159) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is N-ethyl-N-(2,2,2-trifluoroethyl)formamide.

Molecular Properties

Compound NameN-ethyl-N-(2,2,2-trifluoroethyl)formamide
PubChem CID54553159
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC NameN-ethyl-N-(2,2,2-trifluoroethyl)formamide
SMILESCCN(C=O)CC(F)(F)F
InChIInChI=1S/C5H8F3NO/c1-2-9(4-10)3-5(6,7)8/h4H,2-3H2,1H3
InChIKeyLRZCCQSEXMUQQV-UHFFFAOYSA-N
XLogP1.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2,2,2-trifluoroethyl)formamide?
The IUPAC name of N-ethyl-N-(2,2,2-trifluoroethyl)formamide (CID 54553159) is N-ethyl-N-(2,2,2-trifluoroethyl)formamide.
What is the SMILES notation for N-ethyl-N-(2,2,2-trifluoroethyl)formamide?
The canonical SMILES for N-ethyl-N-(2,2,2-trifluoroethyl)formamide is CCN(C=O)CC(F)(F)F.
What is the InChIKey of N-ethyl-N-(2,2,2-trifluoroethyl)formamide?
The InChIKey is LRZCCQSEXMUQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO/c1-2-9(4-10)3-5(6,7)8/h4H,2-3H2,1H3.
What are the key properties of N-ethyl-N-(2,2,2-trifluoroethyl)formamide?
N-ethyl-N-(2,2,2-trifluoroethyl)formamide has a molecular weight of 155.12 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2,2,2-trifluoroethyl)formamide is sourced from PubChem (CID 54553159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).