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

C9H9ClF3NO2 — CID 106686648

IUPAC2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1ccoc1Cl
InChIInChI=1S/C9H9ClF3NO2/c1-2-14(5-9(11,12)13)8(15)6-3-4-16-7(6)10/h3-4H,2,5H2,1H3
InChIKeyZTZABRBLYKHDPQ-UHFFFAOYSA-N
MW255.62 g/mol
LogP2.96
Rot. Bonds3

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

2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide (PubChem CID 106686648) has the molecular formula C9H9ClF3NO2 and a molecular weight of 255.62 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
PubChem CID106686648
Molecular FormulaC9H9ClF3NO2
Molecular Weight255.62 g/mol
Exact Mass255.03
IUPAC Name2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1ccoc1Cl
InChIInChI=1S/C9H9ClF3NO2/c1-2-14(5-9(11,12)13)8(15)6-3-4-16-7(6)10/h3-4H,2,5H2,1H3
InChIKeyZTZABRBLYKHDPQ-UHFFFAOYSA-N
XLogP2.96
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.62
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 107492176
N-benzyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106686196
2-chloro-N-ethyl-N-(2-methylprop-2-enyl)furan-3-carboxamide
CID 106685319
2-chloro-N-ethyl-N-methylfuran-3-carboxamide
CID 106685381
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide
CID 106686239
N-(3-amino-3-sulfanylidenepropyl)-2-chloro-N-ethylfuran-3-carboxamide
CID 106684907
1-(2-chlorofuran-3-carbonyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 136536554
N-butan-2-yl-2-chloro-N-ethylfuran-3-carboxamide
CID 106685395
N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78865711
2-chloro-N,N-bis(cyanomethyl)furan-3-carboxamide
CID 106685237
2-chloro-N-ethyl-N-(2-methylphenyl)furan-3-carboxamide
CID 106685239
2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide
CID 106686174

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide (CID 106686648) is 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide is CCN(CC(F)(F)F)C(=O)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The InChIKey is ZTZABRBLYKHDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO2/c1-2-14(5-9(11,12)13)8(15)6-3-4-16-7(6)10/h3-4H,2,5H2,1H3.
What are the key properties of 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide has a molecular weight of 255.62 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide is sourced from PubChem (CID 106686648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).