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

C7H5ClF3NO2 — CID 106685254

IUPAC2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccoc1Cl
InChIInChI=1S/C7H5ClF3NO2/c8-5-4(1-2-14-5)6(13)12-3-7(9,10)11/h1-2H,3H2,(H,12,13)
InChIKeyVXQMBECGPORPJF-UHFFFAOYSA-N
MW227.57 g/mol
LogP2.23
Rot. Bonds2

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

2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide (PubChem CID 106685254) has the molecular formula C7H5ClF3NO2 and a molecular weight of 227.57 g/mol. Its IUPAC name is 2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
PubChem CID106685254
Molecular FormulaC7H5ClF3NO2
Molecular Weight227.57 g/mol
Exact Mass227.00
IUPAC Name2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccoc1Cl
InChIInChI=1S/C7H5ClF3NO2/c8-5-4(1-2-14-5)6(13)12-3-7(9,10)11/h1-2H,3H2,(H,12,13)
InChIKeyVXQMBECGPORPJF-UHFFFAOYSA-N
XLogP2.23
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.57
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(2S)-1-cyanobutan-2-yl]furan-3-carboxamide
CID 164643454
N-Ethylfuran-3-carboxamide
CID 23273419
2-Iodo-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 89811305
N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 131105913
N-(2,2,3,3-Tetrafluoropropyl)furan-3-carboxamide
CID 86819623
N-[3-(2,2,2-trifluoroethoxy)propyl]furan-3-carboxamide
CID 86929027
N-(2,2-difluoro-3-hydroxypropyl)furan-3-carboxamide
CID 104858142
1-(2-Chlorofuran-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 106683467
N-[(2-chlorofuran-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 106684672
N-[(2-chlorofuran-3-yl)methyl]-2,2-difluoroethanamine
CID 106684676
2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106685480
(2-Chlorofuran-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 106685492

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide (CID 106685254) is 2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide is O=C(NCC(F)(F)F)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The InChIKey is VXQMBECGPORPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO2/c8-5-4(1-2-14-5)6(13)12-3-7(9,10)11/h1-2H,3H2,(H,12,13).
What are the key properties of 2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide has a molecular weight of 227.57 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide is sourced from PubChem (CID 106685254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).