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

C10H11ClF3NO2 — CID 106686317

IUPAC2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1ccoc1Cl
InChIInChI=1S/C10H11ClF3NO2/c1-6(2)15(5-10(12,13)14)9(16)7-3-4-17-8(7)11/h3-4,6H,5H2,1-2H3
InChIKeyIIXVUGHBJMJLND-UHFFFAOYSA-N
MW269.65 g/mol
LogP3.35
Rot. Bonds3

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

2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide (PubChem CID 106686317) has the molecular formula C10H11ClF3NO2 and a molecular weight of 269.65 g/mol. Its IUPAC name is 2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
PubChem CID106686317
Molecular FormulaC10H11ClF3NO2
Molecular Weight269.65 g/mol
Exact Mass269.04
IUPAC Name2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1ccoc1Cl
InChIInChI=1S/C10H11ClF3NO2/c1-6(2)15(5-10(12,13)14)9(16)7-3-4-17-8(7)11/h3-4,6H,5H2,1-2H3
InChIKeyIIXVUGHBJMJLND-UHFFFAOYSA-N
XLogP3.35
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.65
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Diethyl-3-furancarboxamide
CID 10702238
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
N-cyclopentyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 71862739
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
Furan-3-yl(2-(trifluoromethyl)piperidin-1-yl)methanone
CID 92092529
1-(2-Chlorofuran-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 106683467
2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106685254
2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106685480

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide (CID 106686317) is 2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide is CC(C)N(CC(F)(F)F)C(=O)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The InChIKey is IIXVUGHBJMJLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO2/c1-6(2)15(5-10(12,13)14)9(16)7-3-4-17-8(7)11/h3-4,6H,5H2,1-2H3.
What are the key properties of 2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide has a molecular weight of 269.65 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide is sourced from PubChem (CID 106686317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).