N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-3-carboxamide

C9H12F2N2O2 — CID 107493245

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-3-carboxamide
SMILESNCCN(CC(F)F)C(=O)c1ccoc1
InChIInChI=1S/C9H12F2N2O2/c10-8(11)5-13(3-2-12)9(14)7-1-4-15-6-7/h1,4,6,8H,2-3,5,12H2
InChIKeyOKTPPXBBTPWTJD-UHFFFAOYSA-N
MW218.20 g/mol
LogP0.95
Rot. Bonds5

About N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-3-carboxamide

N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-3-carboxamide (PubChem CID 107493245) has the molecular formula C9H12F2N2O2 and a molecular weight of 218.20 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-3-carboxamide
PubChem CID107493245
Molecular FormulaC9H12F2N2O2
Molecular Weight218.20 g/mol
Exact Mass218.09
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-3-carboxamide
SMILESNCCN(CC(F)F)C(=O)c1ccoc1
InChIInChI=1S/C9H12F2N2O2/c10-8(11)5-13(3-2-12)9(14)7-1-4-15-6-7/h1,4,6,8H,2-3,5,12H2
InChIKeyOKTPPXBBTPWTJD-UHFFFAOYSA-N
XLogP0.95
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-3-carboxamide
CID 107493394
N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-2-carboxamide
CID 107493246
N-(2-aminoethyl)-N-propan-2-ylfuran-3-carboxamide
CID 61350095
N,N-bis(3-methylbutyl)furan-3-carboxamide
CID 78833315
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-2-carboxamide
CID 107493288
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(difluoromethoxy)benzamide
CID 107493447
N-[3-(diethylamino)-3-oxopropyl]-N-(2-methylpropyl)furan-3-carboxamide
CID 4651219
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methyl-1-benzofuran-2-carboxamide
CID 107493354
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4-difluoro-5-methylbenzamide
CID 107493226
N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-(2-methylpropyl)furan-3-carboxamide
CID 7330670
N-(3-aminopropyl)-N-cycloheptylfuran-3-carboxamide
CID 43136891
N-(2,2-difluoroethyl)-3,4,5-trifluoro-N-(2-hydroxyethyl)benzamide
CID 107479214

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-3-carboxamide (CID 107493245) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-3-carboxamide is NCCN(CC(F)F)C(=O)c1ccoc1.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-3-carboxamide?
The InChIKey is OKTPPXBBTPWTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O2/c10-8(11)5-13(3-2-12)9(14)7-1-4-15-6-7/h1,4,6,8H,2-3,5,12H2.
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-3-carboxamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-3-carboxamide has a molecular weight of 218.20 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-3-carboxamide is sourced from PubChem (CID 107493245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).