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

C11H13ClF3NO2 — CID 106686302

IUPACN-butyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1ccoc1Cl
InChIInChI=1S/C11H13ClF3NO2/c1-2-3-5-16(7-11(13,14)15)10(17)8-4-6-18-9(8)12/h4,6H,2-3,5,7H2,1H3
InChIKeyFIHZHYOYFMDYBD-UHFFFAOYSA-N
MW283.68 g/mol
LogP3.74
Rot. Bonds5

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

N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide (PubChem CID 106686302) has the molecular formula C11H13ClF3NO2 and a molecular weight of 283.68 g/mol. Its IUPAC name is N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-butyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
PubChem CID106686302
Molecular FormulaC11H13ClF3NO2
Molecular Weight283.68 g/mol
Exact Mass283.06
IUPAC NameN-butyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1ccoc1Cl
InChIInChI=1S/C11H13ClF3NO2/c1-2-3-5-16(7-11(13,14)15)10(17)8-4-6-18-9(8)12/h4,6H,2-3,5,7H2,1H3
InChIKeyFIHZHYOYFMDYBD-UHFFFAOYSA-N
XLogP3.74
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.68
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Diethyl-3-furancarboxamide
CID 10702238
N-(2-methoxyethyl)-N-prop-2-enylfuran-3-carboxamide
CID 91662557
N-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 126777051
Furan-3-yl-[3-(trifluoromethyl)azetidin-1-yl]methanone
CID 126780045
2-chloro-N-[(2S)-1-cyanobutan-2-yl]furan-3-carboxamide
CID 164643454
Furan-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 45802490
2,2,2-trifluoro-N-(furan-3-ylmethyl)-N-methylacetamide
CID 62726739
N-cyclopentyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 71862739
[3-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(furan-3-yl)methanone
CID 71864392
N-ethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 78863888
N-butyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 78867595
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 78877799

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The IUPAC name of N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide (CID 106686302) is N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide.
What is the SMILES notation for N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The canonical SMILES for N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide is CCCCN(CC(F)(F)F)C(=O)c1ccoc1Cl.
What is the InChIKey of N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The InChIKey is FIHZHYOYFMDYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO2/c1-2-3-5-16(7-11(13,14)15)10(17)8-4-6-18-9(8)12/h4,6H,2-3,5,7H2,1H3.
What are the key properties of N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide has a molecular weight of 283.68 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide is sourced from PubChem (CID 106686302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).