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

C9H8Cl2F3NO2 — CID 107492176

IUPAC2-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
SMILESO=C(c1ccoc1Cl)N(CCCl)CC(F)(F)F
InChIInChI=1S/C9H8Cl2F3NO2/c10-2-3-15(5-9(12,13)14)8(16)6-1-4-17-7(6)11/h1,4H,2-3,5H2
InChIKeyLDZLXVHBMXVXSP-UHFFFAOYSA-N
MW290.07 g/mol
LogP3.18
Rot. Bonds4

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

2-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide (PubChem CID 107492176) has the molecular formula C9H8Cl2F3NO2 and a molecular weight of 290.07 g/mol. Its IUPAC name is 2-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
PubChem CID107492176
Molecular FormulaC9H8Cl2F3NO2
Molecular Weight290.07 g/mol
Exact Mass288.99
IUPAC Name2-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
SMILESO=C(c1ccoc1Cl)N(CCCl)CC(F)(F)F
InChIInChI=1S/C9H8Cl2F3NO2/c10-2-3-15(5-9(12,13)14)8(16)6-1-4-17-7(6)11/h1,4H,2-3,5H2
InChIKeyLDZLXVHBMXVXSP-UHFFFAOYSA-N
XLogP3.18
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.07
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106686648
N-benzyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106686196
N-(2-chloroethyl)-4-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107491968
N-(2-chloroethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 107492227
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 107492182
2-bromo-N-(2-chloroethyl)-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492061
2-chloro-N,N-bis(cyanomethyl)furan-3-carboxamide
CID 106685237
N-(2-chloroethyl)-2-methoxy-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492183
N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 107492296
N-(2-chloroethyl)-2,5-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492086
4-bromo-3-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 107492122
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-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide (CID 107492176) is 2-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide is O=C(c1ccoc1Cl)N(CCCl)CC(F)(F)F.
What is the InChIKey of 2-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The InChIKey is LDZLXVHBMXVXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2F3NO2/c10-2-3-15(5-9(12,13)14)8(16)6-1-4-17-7(6)11/h1,4H,2-3,5H2.
What are the key properties of 2-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
2-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide has a molecular weight of 290.07 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide is sourced from PubChem (CID 107492176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).