3,3-bis(4-fluorophenyl)-3-hydroxypropanenitrile

C15H11F2NO — CID 171986042

IUPAC3,3-bis(4-fluorophenyl)-3-hydroxypropanenitrile
SMILESN#CCC(O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H11F2NO/c16-13-5-1-11(2-6-13)15(19,9-10-18)12-3-7-14(17)8-4-12/h1-8,19H,9H2
InChIKeyCSPUGEBYSDZNRH-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.11
Rot. Bonds3

About 3,3-bis(4-fluorophenyl)-3-hydroxypropanenitrile

3,3-bis(4-fluorophenyl)-3-hydroxypropanenitrile (PubChem CID 171986042) has the molecular formula C15H11F2NO and a molecular weight of 259.26 g/mol. Its IUPAC name is 3,3-bis(4-fluorophenyl)-3-hydroxypropanenitrile.

Molecular Properties

Compound Name3,3-bis(4-fluorophenyl)-3-hydroxypropanenitrile
PubChem CID171986042
Molecular FormulaC15H11F2NO
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name3,3-bis(4-fluorophenyl)-3-hydroxypropanenitrile
SMILESN#CCC(O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H11F2NO/c16-13-5-1-11(2-6-13)15(19,9-10-18)12-3-7-14(17)8-4-12/h1-8,19H,9H2
InChIKeyCSPUGEBYSDZNRH-UHFFFAOYSA-N
XLogP3.11
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propanenitrile
CID 19425851
(3R)-3-amino-3-(4-fluorophenyl)butanenitrile
CID 131059334
2-(4-fluorophenyl)-2-hydroxypropanenitrile
CID 57349674
4-(4-fluorophenyl)-3-hydroxy-3-methylbutanenitrile
CID 114835001
2-(4-fluorophenyl)-2-hydroxybutanedioic acid
CID 150762531
ethane;2-(4-fluorophenyl)-2-methylbutanenitrile
CID 144811138
2-(4-fluorophenyl)propan-2-ol
CID 637733
3,3-difluoro-3-(4-hydroxyphenyl)propanenitrile
CID 115016358
3-(3-fluorocyclohexa-1,3-dien-1-yl)-3-(3-fluorophenyl)-3-hydroxypropanenitrile
CID 58960148
3-(3,4-difluorophenyl)-3,3-difluoropropanenitrile
CID 116840719
CID 169129166
CID 169129166
4-(dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)phenyl]butan-1-ol;oxalonitrile
CID 174662850

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-fluorophenyl)-3-hydroxypropanenitrile?
The IUPAC name of 3,3-bis(4-fluorophenyl)-3-hydroxypropanenitrile (CID 171986042) is 3,3-bis(4-fluorophenyl)-3-hydroxypropanenitrile.
What is the SMILES notation for 3,3-bis(4-fluorophenyl)-3-hydroxypropanenitrile?
The canonical SMILES for 3,3-bis(4-fluorophenyl)-3-hydroxypropanenitrile is N#CCC(O)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 3,3-bis(4-fluorophenyl)-3-hydroxypropanenitrile?
The InChIKey is CSPUGEBYSDZNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO/c16-13-5-1-11(2-6-13)15(19,9-10-18)12-3-7-14(17)8-4-12/h1-8,19H,9H2.
What are the key properties of 3,3-bis(4-fluorophenyl)-3-hydroxypropanenitrile?
3,3-bis(4-fluorophenyl)-3-hydroxypropanenitrile has a molecular weight of 259.26 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-fluorophenyl)-3-hydroxypropanenitrile is sourced from PubChem (CID 171986042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).