[4-fluoro-3-(2-methyliminoethyl)phenyl]methanol

C10H12FNO — CID 145016597

IUPAC[4-fluoro-3-(2-methyliminoethyl)phenyl]methanol
SMILESC/N=C/Cc1cc(CO)ccc1F
InChIInChI=1S/C10H12FNO/c1-12-5-4-9-6-8(7-13)2-3-10(9)11/h2-3,5-6,13H,4,7H2,1H3/b12-5+
InChIKeyUEHRBGCUMXQAEP-LFYBBSHMSA-N
MW181.21 g/mol
LogP1.56
Rot. Bonds3

About [4-fluoro-3-(2-methyliminoethyl)phenyl]methanol

[4-fluoro-3-(2-methyliminoethyl)phenyl]methanol (PubChem CID 145016597) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is [4-fluoro-3-(2-methyliminoethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-fluoro-3-(2-methyliminoethyl)phenyl]methanol
PubChem CID145016597
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name[4-fluoro-3-(2-methyliminoethyl)phenyl]methanol
SMILESC/N=C/Cc1cc(CO)ccc1F
InChIInChI=1S/C10H12FNO/c1-12-5-4-9-6-8(7-13)2-3-10(9)11/h2-3,5-6,13H,4,7H2,1H3/b12-5+
InChIKeyUEHRBGCUMXQAEP-LFYBBSHMSA-N
XLogP1.56
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(2-methyliminoethyl)phenyl]methanol?
The IUPAC name of [4-fluoro-3-(2-methyliminoethyl)phenyl]methanol (CID 145016597) is [4-fluoro-3-(2-methyliminoethyl)phenyl]methanol.
What is the SMILES notation for [4-fluoro-3-(2-methyliminoethyl)phenyl]methanol?
The canonical SMILES for [4-fluoro-3-(2-methyliminoethyl)phenyl]methanol is C/N=C/Cc1cc(CO)ccc1F.
What is the InChIKey of [4-fluoro-3-(2-methyliminoethyl)phenyl]methanol?
The InChIKey is UEHRBGCUMXQAEP-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H12FNO/c1-12-5-4-9-6-8(7-13)2-3-10(9)11/h2-3,5-6,13H,4,7H2,1H3/b12-5+.
What are the key properties of [4-fluoro-3-(2-methyliminoethyl)phenyl]methanol?
[4-fluoro-3-(2-methyliminoethyl)phenyl]methanol has a molecular weight of 181.21 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(2-methyliminoethyl)phenyl]methanol is sourced from PubChem (CID 145016597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).