3-(1-amino-2,2,2-trifluoroethyl)furan-2-ol

C6H6F3NO2 — CID 130000157

IUPAC3-(1-amino-2,2,2-trifluoroethyl)furan-2-ol
SMILESNC(c1ccoc1O)C(F)(F)F
InChIInChI=1S/C6H6F3NO2/c7-6(8,9)4(10)3-1-2-12-5(3)11/h1-2,4,11H,10H2
InChIKeyVCSRNCXTRYSZHU-UHFFFAOYSA-N
MW181.11 g/mol
LogP1.55
Rot. Bonds1

About 3-(1-amino-2,2,2-trifluoroethyl)furan-2-ol

3-(1-amino-2,2,2-trifluoroethyl)furan-2-ol (PubChem CID 130000157) has the molecular formula C6H6F3NO2 and a molecular weight of 181.11 g/mol. Its IUPAC name is 3-(1-amino-2,2,2-trifluoroethyl)furan-2-ol.

Molecular Properties

Compound Name3-(1-amino-2,2,2-trifluoroethyl)furan-2-ol
PubChem CID130000157
Molecular FormulaC6H6F3NO2
Molecular Weight181.11 g/mol
Exact Mass181.04
IUPAC Name3-(1-amino-2,2,2-trifluoroethyl)furan-2-ol
SMILESNC(c1ccoc1O)C(F)(F)F
InChIInChI=1S/C6H6F3NO2/c7-6(8,9)4(10)3-1-2-12-5(3)11/h1-2,4,11H,10H2
InChIKeyVCSRNCXTRYSZHU-UHFFFAOYSA-N
XLogP1.55
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.11
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2,2,2-trifluoroethyl)furan-2-ol?
The IUPAC name of 3-(1-amino-2,2,2-trifluoroethyl)furan-2-ol (CID 130000157) is 3-(1-amino-2,2,2-trifluoroethyl)furan-2-ol.
What is the SMILES notation for 3-(1-amino-2,2,2-trifluoroethyl)furan-2-ol?
The canonical SMILES for 3-(1-amino-2,2,2-trifluoroethyl)furan-2-ol is NC(c1ccoc1O)C(F)(F)F.
What is the InChIKey of 3-(1-amino-2,2,2-trifluoroethyl)furan-2-ol?
The InChIKey is VCSRNCXTRYSZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO2/c7-6(8,9)4(10)3-1-2-12-5(3)11/h1-2,4,11H,10H2.
What are the key properties of 3-(1-amino-2,2,2-trifluoroethyl)furan-2-ol?
3-(1-amino-2,2,2-trifluoroethyl)furan-2-ol has a molecular weight of 181.11 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2,2,2-trifluoroethyl)furan-2-ol is sourced from PubChem (CID 130000157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).