[4-[(3,4-difluorophenyl)-nitrosomethyl]phenyl]methanol

C14H11F2NO2 — CID 90826377

IUPAC[4-[(3,4-difluorophenyl)-nitrosomethyl]phenyl]methanol
SMILESO=NC(c1ccc(CO)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2NO2/c15-12-6-5-11(7-13(12)16)14(17-19)10-3-1-9(8-18)2-4-10/h1-7,14,18H,8H2
InChIKeyHKEUPKINYNELKW-UHFFFAOYSA-N
MW263.24 g/mol
LogP3.31
Rot. Bonds4

About [4-[(3,4-difluorophenyl)-nitrosomethyl]phenyl]methanol

[4-[(3,4-difluorophenyl)-nitrosomethyl]phenyl]methanol (PubChem CID 90826377) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is [4-[(3,4-difluorophenyl)-nitrosomethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(3,4-difluorophenyl)-nitrosomethyl]phenyl]methanol
PubChem CID90826377
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name[4-[(3,4-difluorophenyl)-nitrosomethyl]phenyl]methanol
SMILESO=NC(c1ccc(CO)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2NO2/c15-12-6-5-11(7-13(12)16)14(17-19)10-3-1-9(8-18)2-4-10/h1-7,14,18H,8H2
InChIKeyHKEUPKINYNELKW-UHFFFAOYSA-N
XLogP3.31
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-difluorophenyl)-nitrosomethyl]phenyl]methanol?
The IUPAC name of [4-[(3,4-difluorophenyl)-nitrosomethyl]phenyl]methanol (CID 90826377) is [4-[(3,4-difluorophenyl)-nitrosomethyl]phenyl]methanol.
What is the SMILES notation for [4-[(3,4-difluorophenyl)-nitrosomethyl]phenyl]methanol?
The canonical SMILES for [4-[(3,4-difluorophenyl)-nitrosomethyl]phenyl]methanol is O=NC(c1ccc(CO)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of [4-[(3,4-difluorophenyl)-nitrosomethyl]phenyl]methanol?
The InChIKey is HKEUPKINYNELKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c15-12-6-5-11(7-13(12)16)14(17-19)10-3-1-9(8-18)2-4-10/h1-7,14,18H,8H2.
What are the key properties of [4-[(3,4-difluorophenyl)-nitrosomethyl]phenyl]methanol?
[4-[(3,4-difluorophenyl)-nitrosomethyl]phenyl]methanol has a molecular weight of 263.24 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-difluorophenyl)-nitrosomethyl]phenyl]methanol is sourced from PubChem (CID 90826377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).