2-(2-fluoropropan-2-yl)-2-hydroxypropanedinitrile

C6H7FN2O — CID 10796849

IUPAC2-(2-fluoropropan-2-yl)-2-hydroxypropanedinitrile
SMILESCC(C)(F)C(O)(C#N)C#N
InChIInChI=1S/C6H7FN2O/c1-5(2,7)6(10,3-8)4-9/h10H,1-2H3
InChIKeyBZQHQEGEDGBABP-UHFFFAOYSA-N
MW142.13 g/mol
LogP0.51
Rot. Bonds1

About 2-(2-fluoropropan-2-yl)-2-hydroxypropanedinitrile

2-(2-fluoropropan-2-yl)-2-hydroxypropanedinitrile (PubChem CID 10796849) has the molecular formula C6H7FN2O and a molecular weight of 142.13 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-2-hydroxypropanedinitrile.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-2-hydroxypropanedinitrile
PubChem CID10796849
Molecular FormulaC6H7FN2O
Molecular Weight142.13 g/mol
Exact Mass142.05
IUPAC Name2-(2-fluoropropan-2-yl)-2-hydroxypropanedinitrile
SMILESCC(C)(F)C(O)(C#N)C#N
InChIInChI=1S/C6H7FN2O/c1-5(2,7)6(10,3-8)4-9/h10H,1-2H3
InChIKeyBZQHQEGEDGBABP-UHFFFAOYSA-N
XLogP0.51
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanenitrile
CID 10285802
2-fluoro-2-methylpropanenitrile
CID 10129896
ethane;2-hydroxy-2-methylpropanenitrile
CID 164588960
4,4,4-trifluoro-2-hydroxy-2-methylbutanenitrile
CID 87590804
methyl 2-cyano-3-fluoro-2-hydroxy-3-methylbutanoate
CID 86097349
2,3,3-trifluoro-2,3-dihydroxypropanenitrile
CID 89493255
2-hydroxy-2-methylpropanenitrile;trimethylsilane
CID 174744740
(2S)-2-hydroxy-2-(trifluoromethyl)butanenitrile
CID 97290854
(2R)-2-hydroxy-2,3-dimethylbutanenitrile
CID 12650901
2,3,3-trichloro-2-methylpropanenitrile
CID 86218620
2,2-dimethyl-3-sulfanylidenebutanenitrile
CID 154411588
7,7,7-trifluoro-3-hydroxy-2,2,3-trimethylheptanenitrile
CID 116536353

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)-2-hydroxypropanedinitrile?
The IUPAC name of 2-(2-fluoropropan-2-yl)-2-hydroxypropanedinitrile (CID 10796849) is 2-(2-fluoropropan-2-yl)-2-hydroxypropanedinitrile.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-2-hydroxypropanedinitrile?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-2-hydroxypropanedinitrile is CC(C)(F)C(O)(C#N)C#N.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-2-hydroxypropanedinitrile?
The InChIKey is BZQHQEGEDGBABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O/c1-5(2,7)6(10,3-8)4-9/h10H,1-2H3.
What are the key properties of 2-(2-fluoropropan-2-yl)-2-hydroxypropanedinitrile?
2-(2-fluoropropan-2-yl)-2-hydroxypropanedinitrile has a molecular weight of 142.13 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)-2-hydroxypropanedinitrile is sourced from PubChem (CID 10796849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).