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

C15H11F2NO — CID 10848858

IUPAC3,3-bis(3-fluorophenyl)-3-hydroxypropanenitrile
SMILESN#CCC(O)(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C15H11F2NO/c16-13-5-1-3-11(9-13)15(19,7-8-18)12-4-2-6-14(17)10-12/h1-6,9-10,19H,7H2
InChIKeyJYEVNADJLKIJRS-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.11
Rot. Bonds3

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

3,3-bis(3-fluorophenyl)-3-hydroxypropanenitrile (PubChem CID 10848858) has the molecular formula C15H11F2NO and a molecular weight of 259.26 g/mol. Its IUPAC name is 3,3-bis(3-fluorophenyl)-3-hydroxypropanenitrile.

Molecular Properties

Compound Name3,3-bis(3-fluorophenyl)-3-hydroxypropanenitrile
PubChem CID10848858
Molecular FormulaC15H11F2NO
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name3,3-bis(3-fluorophenyl)-3-hydroxypropanenitrile
SMILESN#CCC(O)(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C15H11F2NO/c16-13-5-1-3-11(9-13)15(19,7-8-18)12-4-2-6-14(17)10-12/h1-6,9-10,19H,7H2
InChIKeyJYEVNADJLKIJRS-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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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(3-fluorophenyl)-3-hydroxypropanenitrile?
The IUPAC name of 3,3-bis(3-fluorophenyl)-3-hydroxypropanenitrile (CID 10848858) is 3,3-bis(3-fluorophenyl)-3-hydroxypropanenitrile.
What is the SMILES notation for 3,3-bis(3-fluorophenyl)-3-hydroxypropanenitrile?
The canonical SMILES for 3,3-bis(3-fluorophenyl)-3-hydroxypropanenitrile is N#CCC(O)(c1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of 3,3-bis(3-fluorophenyl)-3-hydroxypropanenitrile?
The InChIKey is JYEVNADJLKIJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO/c16-13-5-1-3-11(9-13)15(19,7-8-18)12-4-2-6-14(17)10-12/h1-6,9-10,19H,7H2.
What are the key properties of 3,3-bis(3-fluorophenyl)-3-hydroxypropanenitrile?
3,3-bis(3-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(3-fluorophenyl)-3-hydroxypropanenitrile is sourced from PubChem (CID 10848858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).