2,3,3-trifluoro-2,3-dihydroxypropanenitrile

C3H2F3NO2 — CID 89493255

IUPAC2,3,3-trifluoro-2,3-dihydroxypropanenitrile
SMILESN#CC(O)(F)C(O)(F)F
InChIInChI=1S/C3H2F3NO2/c4-2(8,1-7)3(5,6)9/h8-9H
InChIKeyYDYQPXRUCPXASG-UHFFFAOYSA-N
MW141.05 g/mol
LogP-0.25
Rot. Bonds1

About 2,3,3-trifluoro-2,3-dihydroxypropanenitrile

2,3,3-trifluoro-2,3-dihydroxypropanenitrile (PubChem CID 89493255) has the molecular formula C3H2F3NO2 and a molecular weight of 141.05 g/mol. Its IUPAC name is 2,3,3-trifluoro-2,3-dihydroxypropanenitrile.

Molecular Properties

Compound Name2,3,3-trifluoro-2,3-dihydroxypropanenitrile
PubChem CID89493255
Molecular FormulaC3H2F3NO2
Molecular Weight141.05 g/mol
Exact Mass141.00
IUPAC Name2,3,3-trifluoro-2,3-dihydroxypropanenitrile
SMILESN#CC(O)(F)C(O)(F)F
InChIInChI=1S/C3H2F3NO2/c4-2(8,1-7)3(5,6)9/h8-9H
InChIKeyYDYQPXRUCPXASG-UHFFFAOYSA-N
XLogP-0.25
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.05
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trifluoro-2,3-dihydroxypropanenitrile?
The IUPAC name of 2,3,3-trifluoro-2,3-dihydroxypropanenitrile (CID 89493255) is 2,3,3-trifluoro-2,3-dihydroxypropanenitrile.
What is the SMILES notation for 2,3,3-trifluoro-2,3-dihydroxypropanenitrile?
The canonical SMILES for 2,3,3-trifluoro-2,3-dihydroxypropanenitrile is N#CC(O)(F)C(O)(F)F.
What is the InChIKey of 2,3,3-trifluoro-2,3-dihydroxypropanenitrile?
The InChIKey is YDYQPXRUCPXASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F3NO2/c4-2(8,1-7)3(5,6)9/h8-9H.
What are the key properties of 2,3,3-trifluoro-2,3-dihydroxypropanenitrile?
2,3,3-trifluoro-2,3-dihydroxypropanenitrile has a molecular weight of 141.05 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trifluoro-2,3-dihydroxypropanenitrile is sourced from PubChem (CID 89493255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).