2,3-difluoro-5-(2-hydroxypropan-2-yl)benzonitrile

C10H9F2NO — CID 131467093

IUPAC2,3-difluoro-5-(2-hydroxypropan-2-yl)benzonitrile
SMILESCC(C)(O)c1cc(F)c(F)c(C#N)c1
InChIInChI=1S/C10H9F2NO/c1-10(2,14)7-3-6(5-13)9(12)8(11)4-7/h3-4,14H,1-2H3
InChIKeyNZUDTRFLIRGXSS-UHFFFAOYSA-N
MW197.18 g/mol
LogP2.06
Rot. Bonds1

About 2,3-difluoro-5-(2-hydroxypropan-2-yl)benzonitrile

2,3-difluoro-5-(2-hydroxypropan-2-yl)benzonitrile (PubChem CID 131467093) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is 2,3-difluoro-5-(2-hydroxypropan-2-yl)benzonitrile.

Molecular Properties

Compound Name2,3-difluoro-5-(2-hydroxypropan-2-yl)benzonitrile
PubChem CID131467093
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name2,3-difluoro-5-(2-hydroxypropan-2-yl)benzonitrile
SMILESCC(C)(O)c1cc(F)c(F)c(C#N)c1
InChIInChI=1S/C10H9F2NO/c1-10(2,14)7-3-6(5-13)9(12)8(11)4-7/h3-4,14H,1-2H3
InChIKeyNZUDTRFLIRGXSS-UHFFFAOYSA-N
XLogP2.06
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyano-4,5-difluorobenzoic acid
CID 105440371
2,3,5-trifluorobenzonitrile
CID 2776998
2-amino-5-(1-amino-1-hydroxyethyl)benzonitrile
CID 150589041
CID 172764303
CID 172764303
3-fluoro-5-(1-hydroxy-2-methylpropan-2-yl)-2-methoxybenzonitrile
CID 117319522
2-(3,5-dichloro-4-fluorophenyl)propan-2-ol
CID 117318974
2-fluoro-5-(2-sulfanylpropan-2-yl)benzonitrile
CID 166671882
5-[1,1-bis(3-cyano-4-fluoro-5-isocyanophenyl)ethyl]-2-fluorobenzene-1,3-dicarbonitrile
CID 140701493
4-(tert-butylamino)-2,3,5-trifluorobenzonitrile
CID 178175300
2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol
CID 84695519
2-[4-(difluoromethyl)-3-fluorophenyl]propan-2-ol
CID 84672129
2,3,5-trifluoro-4-methylbenzonitrile
CID 24820344

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-(2-hydroxypropan-2-yl)benzonitrile?
The IUPAC name of 2,3-difluoro-5-(2-hydroxypropan-2-yl)benzonitrile (CID 131467093) is 2,3-difluoro-5-(2-hydroxypropan-2-yl)benzonitrile.
What is the SMILES notation for 2,3-difluoro-5-(2-hydroxypropan-2-yl)benzonitrile?
The canonical SMILES for 2,3-difluoro-5-(2-hydroxypropan-2-yl)benzonitrile is CC(C)(O)c1cc(F)c(F)c(C#N)c1.
What is the InChIKey of 2,3-difluoro-5-(2-hydroxypropan-2-yl)benzonitrile?
The InChIKey is NZUDTRFLIRGXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO/c1-10(2,14)7-3-6(5-13)9(12)8(11)4-7/h3-4,14H,1-2H3.
What are the key properties of 2,3-difluoro-5-(2-hydroxypropan-2-yl)benzonitrile?
2,3-difluoro-5-(2-hydroxypropan-2-yl)benzonitrile has a molecular weight of 197.18 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-(2-hydroxypropan-2-yl)benzonitrile is sourced from PubChem (CID 131467093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).