2,3,3,4-tetrafluoro-2-hydroxybutanenitrile

C4H3F4NO — CID 173218202

IUPAC2,3,3,4-tetrafluoro-2-hydroxybutanenitrile
SMILESN#CC(O)(F)C(F)(F)CF
InChIInChI=1S/C4H3F4NO/c5-1-3(6,7)4(8,10)2-9/h10H,1H2
InChIKeyUCQRJPFDVGXIEH-UHFFFAOYSA-N
MW157.07 g/mol
LogP0.77
Rot. Bonds2

About 2,3,3,4-tetrafluoro-2-hydroxybutanenitrile

2,3,3,4-tetrafluoro-2-hydroxybutanenitrile (PubChem CID 173218202) has the molecular formula C4H3F4NO and a molecular weight of 157.07 g/mol. Its IUPAC name is 2,3,3,4-tetrafluoro-2-hydroxybutanenitrile.

Molecular Properties

Compound Name2,3,3,4-tetrafluoro-2-hydroxybutanenitrile
PubChem CID173218202
Molecular FormulaC4H3F4NO
Molecular Weight157.07 g/mol
Exact Mass157.02
IUPAC Name2,3,3,4-tetrafluoro-2-hydroxybutanenitrile
SMILESN#CC(O)(F)C(F)(F)CF
InChIInChI=1S/C4H3F4NO/c5-1-3(6,7)4(8,10)2-9/h10H,1H2
InChIKeyUCQRJPFDVGXIEH-UHFFFAOYSA-N
XLogP0.77
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.07
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,3-trifluoro-2,3-dihydroxypropanenitrile
CID 89493255
1,1,1,2,2,3-hexafluoropropane;hydrate
CID 23202835
1,1,1,2-tetrafluoroethane;hydrate
CID 87179187
(2S)-2-hydroxy-2-(trifluoromethyl)butanenitrile
CID 97290854
4,4,4-trifluoro-2-hydroxy-2-methylbutanenitrile
CID 87590804
2-(2-fluoropropan-2-yl)-2-hydroxypropanedinitrile
CID 10796849
(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanenitrile
CID 10285802
1,1,1,4,4,5,5,6-octafluorohex-2-yne
CID 87288466
ethane;1,1,1,2,2,3-hexafluoropropane
CID 143490804
1,1,1,2,2,3-hexafluoropropane;1,1,1,2-tetrafluoroethane
CID 22481284
1,1,3-trifluoropropan-1-ol
CID 18319092
boric acid;tris(1,1,2-trifluoroethanol)
CID 175149497

Frequently Asked Questions

What is the IUPAC name of 2,3,3,4-tetrafluoro-2-hydroxybutanenitrile?
The IUPAC name of 2,3,3,4-tetrafluoro-2-hydroxybutanenitrile (CID 173218202) is 2,3,3,4-tetrafluoro-2-hydroxybutanenitrile.
What is the SMILES notation for 2,3,3,4-tetrafluoro-2-hydroxybutanenitrile?
The canonical SMILES for 2,3,3,4-tetrafluoro-2-hydroxybutanenitrile is N#CC(O)(F)C(F)(F)CF.
What is the InChIKey of 2,3,3,4-tetrafluoro-2-hydroxybutanenitrile?
The InChIKey is UCQRJPFDVGXIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F4NO/c5-1-3(6,7)4(8,10)2-9/h10H,1H2.
What are the key properties of 2,3,3,4-tetrafluoro-2-hydroxybutanenitrile?
2,3,3,4-tetrafluoro-2-hydroxybutanenitrile has a molecular weight of 157.07 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4-tetrafluoro-2-hydroxybutanenitrile is sourced from PubChem (CID 173218202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).