N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide

C11H14F3NO2 — CID 60779427

IUPACN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)c1ccco1
InChIInChI=1S/C11H14F3NO2/c1-8(2)6-15(7-11(12,13)14)10(16)9-4-3-5-17-9/h3-5,8H,6-7H2,1-2H3
InChIKeyWHNURBVJGHXRBE-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.94
Rot. Bonds4

About N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide

N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide (PubChem CID 60779427) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
PubChem CID60779427
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)c1ccco1
InChIInChI=1S/C11H14F3NO2/c1-8(2)6-15(7-11(12,13)14)10(16)9-4-3-5-17-9/h3-5,8H,6-7H2,1-2H3
InChIKeyWHNURBVJGHXRBE-UHFFFAOYSA-N
XLogP2.94
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 62734384
N-(1,3-benzodioxol-4-ylmethyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 24715098
3-iodo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54938230
2-benzylsulfanyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86998537
1-(furan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 60892744
N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]furan-2-carboxamide
CID 42725509
3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 61108683
2-[[2-(furan-2-carbonylamino)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264824
N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-2-carboxamide
CID 107493246
N,N-dibenzylfuran-2-carboxamide
CID 762503
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 4577131
3-(3-aminophenyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 80694736

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide?
The IUPAC name of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide (CID 60779427) is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide is CC(C)CN(CC(F)(F)F)C(=O)c1ccco1.
What is the InChIKey of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide?
The InChIKey is WHNURBVJGHXRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-8(2)6-15(7-11(12,13)14)10(16)9-4-3-5-17-9/h3-5,8H,6-7H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide?
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide has a molecular weight of 249.23 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide is sourced from PubChem (CID 60779427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).