[3-fluoro-5-(methyliminomethyl)phenyl]methanol

C9H10FNO — CID 130252133

IUPAC[3-fluoro-5-(methyliminomethyl)phenyl]methanol
SMILESC/N=C/c1cc(F)cc(CO)c1
InChIInChI=1S/C9H10FNO/c1-11-5-7-2-8(6-12)4-9(10)3-7/h2-5,12H,6H2,1H3/b11-5+
InChIKeyFHHPDURNYLIYAG-VZUCSPMQSA-N
MW167.18 g/mol
LogP1.37
Rot. Bonds2

About [3-fluoro-5-(methyliminomethyl)phenyl]methanol

[3-fluoro-5-(methyliminomethyl)phenyl]methanol (PubChem CID 130252133) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is [3-fluoro-5-(methyliminomethyl)phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-5-(methyliminomethyl)phenyl]methanol
PubChem CID130252133
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name[3-fluoro-5-(methyliminomethyl)phenyl]methanol
SMILESC/N=C/c1cc(F)cc(CO)c1
InChIInChI=1S/C9H10FNO/c1-11-5-7-2-8(6-12)4-9(10)3-7/h2-5,12H,6H2,1H3/b11-5+
InChIKeyFHHPDURNYLIYAG-VZUCSPMQSA-N
XLogP1.37
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[3-Fluoro-5-(2,3,4,5-tetrahydropyridin-6-yl)phenyl]methanol
CID 127026063
[3-(2,3,4,5-Tetrahydropyridin-6-yl)phenyl]methanol
CID 127027055
m-Tolualdehyde O-pentafluorophenylmethyl-oxime
CID 91727710
(Z)-4-(2,4-difluoro-5-methylphenyl)-4-hydroxy-3-[(E)-hydroxymethyliminomethyl]but-3-en-2-one
CID 136200549
4-(2,4-Difluoro-5-methylphenyl)-4-hydroxy-3-(hydroxymethyliminomethyl)but-3-en-2-one
CID 136648694
[(2-Fluorophenyl)-hydroxymethylidene]-methylazanium
CID 142406663
1-[3,5-Bis(trifluoromethyl)phenyl]-3-methyliminopropan-1-ol
CID 143804832
[3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-fluorophenyl]methanol
CID 144440687
[4-Fluoro-3-(2-methyliminoethyl)phenyl]methanol
CID 145016597
(3-Fluoro-4-methanimidoylphenyl)methanol
CID 155744791
[3-(6-Tert-butyl-2,5-dihydropyridin-4-yl)-2-fluorophenyl]methanol
CID 161885348
[2-fluoro-3-[(Z)-1-iminobut-2-en-2-yl]phenyl]methanol
CID 163900178

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-(methyliminomethyl)phenyl]methanol?
The IUPAC name of [3-fluoro-5-(methyliminomethyl)phenyl]methanol (CID 130252133) is [3-fluoro-5-(methyliminomethyl)phenyl]methanol.
What is the SMILES notation for [3-fluoro-5-(methyliminomethyl)phenyl]methanol?
The canonical SMILES for [3-fluoro-5-(methyliminomethyl)phenyl]methanol is C/N=C/c1cc(F)cc(CO)c1.
What is the InChIKey of [3-fluoro-5-(methyliminomethyl)phenyl]methanol?
The InChIKey is FHHPDURNYLIYAG-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H10FNO/c1-11-5-7-2-8(6-12)4-9(10)3-7/h2-5,12H,6H2,1H3/b11-5+.
What are the key properties of [3-fluoro-5-(methyliminomethyl)phenyl]methanol?
[3-fluoro-5-(methyliminomethyl)phenyl]methanol has a molecular weight of 167.18 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-(methyliminomethyl)phenyl]methanol is sourced from PubChem (CID 130252133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).