[4-fluoro-3-(isocyanomethyl)phenyl]methanol

C9H8FNO — CID 140807490

IUPAC[4-fluoro-3-(isocyanomethyl)phenyl]methanol
SMILES[C-]#[N+]Cc1cc(CO)ccc1F
InChIInChI=1S/C9H8FNO/c1-11-5-8-4-7(6-12)2-3-9(8)10/h2-4,12H,5-6H2
InChIKeyWSWHMRQCDKEPNG-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.74
Rot. Bonds2

About [4-fluoro-3-(isocyanomethyl)phenyl]methanol

[4-fluoro-3-(isocyanomethyl)phenyl]methanol (PubChem CID 140807490) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is [4-fluoro-3-(isocyanomethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-fluoro-3-(isocyanomethyl)phenyl]methanol
PubChem CID140807490
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name[4-fluoro-3-(isocyanomethyl)phenyl]methanol
SMILES[C-]#[N+]Cc1cc(CO)ccc1F
InChIInChI=1S/C9H8FNO/c1-11-5-8-4-7(6-12)2-3-9(8)10/h2-4,12H,5-6H2
InChIKeyWSWHMRQCDKEPNG-UHFFFAOYSA-N
XLogP1.74
TPSA24.59 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3,4-difluorophenyl)methanol
CID 522833
[2-fluoro-5-(hydroxymethyl)phenyl]methanesulfinate
CID 174834928
1-bromo-3-[2-fluoro-5-(hydroxymethyl)phenyl]propan-2-one
CID 134616347
[4-fluoro-3-(4-fluorophenyl)phenyl]methanol
CID 46312404
[2-fluoro-5-(2,2,2-trifluoroethyl)phenyl]methanol
CID 178139316
[5-(aminooxymethyl)-2-fluorophenyl]methanol
CID 117276845
[4-(bromomethyl)-3-fluorophenyl]methanol
CID 72712924
[3-(dimethylamino)-4-fluorophenyl]methanol;ethane
CID 144961766
4-chloro-2-(isocyanomethyl)phenol
CID 83480800
(3,5-difluoro-4-isocyanophenyl)methanol
CID 155654687
[3-(1-aminoethyl)-4-fluorophenyl]methanol
CID 55283216
2-[cyclobutyl-[[2-fluoro-5-(hydroxymethyl)phenyl]methyl]amino]acetic acid
CID 138037839

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(isocyanomethyl)phenyl]methanol?
The IUPAC name of [4-fluoro-3-(isocyanomethyl)phenyl]methanol (CID 140807490) is [4-fluoro-3-(isocyanomethyl)phenyl]methanol.
What is the SMILES notation for [4-fluoro-3-(isocyanomethyl)phenyl]methanol?
The canonical SMILES for [4-fluoro-3-(isocyanomethyl)phenyl]methanol is [C-]#[N+]Cc1cc(CO)ccc1F.
What is the InChIKey of [4-fluoro-3-(isocyanomethyl)phenyl]methanol?
The InChIKey is WSWHMRQCDKEPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c1-11-5-8-4-7(6-12)2-3-9(8)10/h2-4,12H,5-6H2.
What are the key properties of [4-fluoro-3-(isocyanomethyl)phenyl]methanol?
[4-fluoro-3-(isocyanomethyl)phenyl]methanol has a molecular weight of 165.17 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(isocyanomethyl)phenyl]methanol is sourced from PubChem (CID 140807490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).