2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide

C8H7ClF3NO2 — CID 106685480

IUPAC2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1ccoc1Cl
InChIInChI=1S/C8H7ClF3NO2/c1-13(4-8(10,11)12)7(14)5-2-3-15-6(5)9/h2-3H,4H2,1H3
InChIKeyLLUULUMYYWJDEK-UHFFFAOYSA-N
MW241.60 g/mol
LogP2.57
Rot. Bonds2

About 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide

2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide (PubChem CID 106685480) has the molecular formula C8H7ClF3NO2 and a molecular weight of 241.60 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
PubChem CID106685480
Molecular FormulaC8H7ClF3NO2
Molecular Weight241.60 g/mol
Exact Mass241.01
IUPAC Name2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1ccoc1Cl
InChIInChI=1S/C8H7ClF3NO2/c1-13(4-8(10,11)12)7(14)5-2-3-15-6(5)9/h2-3H,4H2,1H3
InChIKeyLLUULUMYYWJDEK-UHFFFAOYSA-N
XLogP2.57
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.60
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide (CID 106685480) is 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide is CN(CC(F)(F)F)C(=O)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The InChIKey is LLUULUMYYWJDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO2/c1-13(4-8(10,11)12)7(14)5-2-3-15-6(5)9/h2-3H,4H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide has a molecular weight of 241.60 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide is sourced from PubChem (CID 106685480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).