2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]furan-3-carboxamide

C12H14ClF3N2O2 — CID 106686153

IUPAC2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]furan-3-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)c1ccoc1Cl
InChIInChI=1S/C12H14ClF3N2O2/c13-10-9(2-4-20-10)11(19)17-5-8-1-3-18(6-8)7-12(14,15)16/h2,4,8H,1,3,5-7H2,(H,17,19)
InChIKeyACSQUDFJVXOFGH-UHFFFAOYSA-N
MW310.70 g/mol
LogP2.55
Rot. Bonds4

About 2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]furan-3-carboxamide

2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]furan-3-carboxamide (PubChem CID 106686153) has the molecular formula C12H14ClF3N2O2 and a molecular weight of 310.70 g/mol. Its IUPAC name is 2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]furan-3-carboxamide
PubChem CID106686153
Molecular FormulaC12H14ClF3N2O2
Molecular Weight310.70 g/mol
Exact Mass310.07
IUPAC Name2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]furan-3-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)c1ccoc1Cl
InChIInChI=1S/C12H14ClF3N2O2/c13-10-9(2-4-20-10)11(19)17-5-8-1-3-18(6-8)7-12(14,15)16/h2,4,8H,1,3,5-7H2,(H,17,19)
InChIKeyACSQUDFJVXOFGH-UHFFFAOYSA-N
XLogP2.55
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.70
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]furan-3-carboxamide with MolForge

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Related Compounds

1-(Furan-3-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
CID 110203600
N-[3-(2-oxopyrrolidin-1-yl)propyl]furan-3-carboxamide
CID 43034826
9-(2-Chlorofuran-3-carbonyl)-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 128097138
2-chloro-N-[(2S)-1-cyanobutan-2-yl]furan-3-carboxamide
CID 164643454
N-[3-[2,2-difluoroethyl(propyl)amino]-3-oxopropyl]furan-3-carboxamide
CID 47088476
[3-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(furan-3-yl)methanone
CID 71864392
N-[3-(2,2,2-trifluoroethoxy)propyl]furan-3-carboxamide
CID 86929027
[(3S)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(furan-3-yl)methanone
CID 96525150
[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(furan-3-yl)methanone
CID 96525151
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-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]furan-3-carboxamide (CID 106686153) is 2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]furan-3-carboxamide is O=C(NCC1CCN(CC(F)(F)F)C1)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]furan-3-carboxamide?
The InChIKey is ACSQUDFJVXOFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O2/c13-10-9(2-4-20-10)11(19)17-5-8-1-3-18(6-8)7-12(14,15)16/h2,4,8H,1,3,5-7H2,(H,17,19).
What are the key properties of 2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]furan-3-carboxamide?
2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]furan-3-carboxamide has a molecular weight of 310.70 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 106686153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).