1-(4-fluorophenyl)-1-methyliminopropan-2-ol

C10H12FNO — CID 149089454

IUPAC1-(4-fluorophenyl)-1-methyliminopropan-2-ol
SMILESC/N=C(/c1ccc(F)cc1)C(C)O
InChIInChI=1S/C10H12FNO/c1-7(13)10(12-2)8-3-5-9(11)6-4-8/h3-7,13H,1-2H3/b12-10+
InChIKeyQRWVYMYBYCHNIR-ZRDIBKRKSA-N
MW181.21 g/mol
LogP1.63
Rot. Bonds2

About 1-(4-fluorophenyl)-1-methyliminopropan-2-ol

1-(4-fluorophenyl)-1-methyliminopropan-2-ol (PubChem CID 149089454) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-methyliminopropan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-methyliminopropan-2-ol
PubChem CID149089454
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name1-(4-fluorophenyl)-1-methyliminopropan-2-ol
SMILESC/N=C(/c1ccc(F)cc1)C(C)O
InChIInChI=1S/C10H12FNO/c1-7(13)10(12-2)8-3-5-9(11)6-4-8/h3-7,13H,1-2H3/b12-10+
InChIKeyQRWVYMYBYCHNIR-ZRDIBKRKSA-N
XLogP1.63
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.63
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 1-(4-fluorophenyl)-1-methyliminopropan-2-ol?
The IUPAC name of 1-(4-fluorophenyl)-1-methyliminopropan-2-ol (CID 149089454) is 1-(4-fluorophenyl)-1-methyliminopropan-2-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-1-methyliminopropan-2-ol?
The canonical SMILES for 1-(4-fluorophenyl)-1-methyliminopropan-2-ol is C/N=C(/c1ccc(F)cc1)C(C)O.
What is the InChIKey of 1-(4-fluorophenyl)-1-methyliminopropan-2-ol?
The InChIKey is QRWVYMYBYCHNIR-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H12FNO/c1-7(13)10(12-2)8-3-5-9(11)6-4-8/h3-7,13H,1-2H3/b12-10+.
What are the key properties of 1-(4-fluorophenyl)-1-methyliminopropan-2-ol?
1-(4-fluorophenyl)-1-methyliminopropan-2-ol has a molecular weight of 181.21 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-methyliminopropan-2-ol is sourced from PubChem (CID 149089454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).