4-(1-amino-2,2,2-trifluoroethyl)furan-2-carbonitrile

C7H5F3N2O — CID 130000721

IUPAC4-(1-amino-2,2,2-trifluoroethyl)furan-2-carbonitrile
SMILESN#Cc1cc(C(N)C(F)(F)F)co1
InChIInChI=1S/C7H5F3N2O/c8-7(9,10)6(12)4-1-5(2-11)13-3-4/h1,3,6H,12H2
InChIKeyDEEFNZITPZQCFK-UHFFFAOYSA-N
MW190.12 g/mol
LogP1.71
Rot. Bonds1

About 4-(1-amino-2,2,2-trifluoroethyl)furan-2-carbonitrile

4-(1-amino-2,2,2-trifluoroethyl)furan-2-carbonitrile (PubChem CID 130000721) has the molecular formula C7H5F3N2O and a molecular weight of 190.12 g/mol. Its IUPAC name is 4-(1-amino-2,2,2-trifluoroethyl)furan-2-carbonitrile.

Molecular Properties

Compound Name4-(1-amino-2,2,2-trifluoroethyl)furan-2-carbonitrile
PubChem CID130000721
Molecular FormulaC7H5F3N2O
Molecular Weight190.12 g/mol
Exact Mass190.04
IUPAC Name4-(1-amino-2,2,2-trifluoroethyl)furan-2-carbonitrile
SMILESN#Cc1cc(C(N)C(F)(F)F)co1
InChIInChI=1S/C7H5F3N2O/c8-7(9,10)6(12)4-1-5(2-11)13-3-4/h1,3,6H,12H2
InChIKeyDEEFNZITPZQCFK-UHFFFAOYSA-N
XLogP1.71
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.12
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2,2,2-trifluoroethyl)furan-2-carbonitrile?
The IUPAC name of 4-(1-amino-2,2,2-trifluoroethyl)furan-2-carbonitrile (CID 130000721) is 4-(1-amino-2,2,2-trifluoroethyl)furan-2-carbonitrile.
What is the SMILES notation for 4-(1-amino-2,2,2-trifluoroethyl)furan-2-carbonitrile?
The canonical SMILES for 4-(1-amino-2,2,2-trifluoroethyl)furan-2-carbonitrile is N#Cc1cc(C(N)C(F)(F)F)co1.
What is the InChIKey of 4-(1-amino-2,2,2-trifluoroethyl)furan-2-carbonitrile?
The InChIKey is DEEFNZITPZQCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O/c8-7(9,10)6(12)4-1-5(2-11)13-3-4/h1,3,6H,12H2.
What are the key properties of 4-(1-amino-2,2,2-trifluoroethyl)furan-2-carbonitrile?
4-(1-amino-2,2,2-trifluoroethyl)furan-2-carbonitrile has a molecular weight of 190.12 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2,2,2-trifluoroethyl)furan-2-carbonitrile is sourced from PubChem (CID 130000721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).