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

C9H12F2N2O2 — CID 107493246

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-2-carboxamide
SMILESNCCN(CC(F)F)C(=O)c1ccco1
InChIInChI=1S/C9H12F2N2O2/c10-8(11)6-13(4-3-12)9(14)7-2-1-5-15-7/h1-2,5,8H,3-4,6,12H2
InChIKeyVDUYAFKIHHALPB-UHFFFAOYSA-N
MW218.20 g/mol
LogP0.95
Rot. Bonds5

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

N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-2-carboxamide (PubChem CID 107493246) 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-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-2-carboxamide
PubChem CID107493246
Molecular FormulaC9H12F2N2O2
Molecular Weight218.20 g/mol
Exact Mass218.09
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-2-carboxamide
SMILESNCCN(CC(F)F)C(=O)c1ccco1
InChIInChI=1S/C9H12F2N2O2/c10-8(11)6-13(4-3-12)9(14)7-2-1-5-15-7/h1-2,5,8H,3-4,6,12H2
InChIKeyVDUYAFKIHHALPB-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-ethylfuran-2-carboxamide
CID 28707635
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methyl-1-benzofuran-2-carboxamide
CID 107493354
N,N-bis(2-chloroethyl)furan-2-carboxamide
CID 15923
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 62734384
N,N-dibenzylfuran-2-carboxamide
CID 762503
N-(2-aminoethyl)-N-(3-fluorophenyl)furan-2-carboxamide
CID 28769132
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(difluoromethoxy)benzamide
CID 107493447
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
CID 60779427
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethoxybenzamide
CID 107493431
N-ethyl-N-(2-hydroxyethyl)furan-2-carboxamide
CID 39237533
N-(2-aminoethyl)-N-(4-ethylphenyl)furan-2-carboxamide
CID 28770064
2-[furan-2-carbonyl(hydroxymethyl)amino]acetic acid
CID 126504893

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-2-carboxamide (CID 107493246) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-2-carboxamide is NCCN(CC(F)F)C(=O)c1ccco1.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-2-carboxamide?
The InChIKey is VDUYAFKIHHALPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O2/c10-8(11)6-13(4-3-12)9(14)7-2-1-5-15-7/h1-2,5,8H,3-4,6,12H2.
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-2-carboxamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-2-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-2-carboxamide is sourced from PubChem (CID 107493246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).