3-(2-fluorophenyl)-5-imino-3-methylpentan-1-ol

C12H16FNO — CID 174322160

IUPAC3-(2-fluorophenyl)-5-imino-3-methylpentan-1-ol
SMILES[H]/N=C\CC(C)(CCO)c1ccccc1F
InChIInChI=1S/C12H16FNO/c1-12(6-8-14,7-9-15)10-4-2-3-5-11(10)13/h2-5,8,14-15H,6-7,9H2,1H3/b14-8-
InChIKeyIURQALLJZGGYIS-ZSOIEALJSA-N
MW209.26 g/mol
LogP2.51
Rot. Bonds5

About 3-(2-fluorophenyl)-5-imino-3-methylpentan-1-ol

3-(2-fluorophenyl)-5-imino-3-methylpentan-1-ol (PubChem CID 174322160) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-imino-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-imino-3-methylpentan-1-ol
PubChem CID174322160
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name3-(2-fluorophenyl)-5-imino-3-methylpentan-1-ol
SMILES[H]/N=C\CC(C)(CCO)c1ccccc1F
InChIInChI=1S/C12H16FNO/c1-12(6-8-14,7-9-15)10-4-2-3-5-11(10)13/h2-5,8,14-15H,6-7,9H2,1H3/b14-8-
InChIKeyIURQALLJZGGYIS-ZSOIEALJSA-N
XLogP2.51
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.51
H-Bond Donors ≤ 52
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 3-(2-fluorophenyl)-5-imino-3-methylpentan-1-ol?
The IUPAC name of 3-(2-fluorophenyl)-5-imino-3-methylpentan-1-ol (CID 174322160) is 3-(2-fluorophenyl)-5-imino-3-methylpentan-1-ol.
What is the SMILES notation for 3-(2-fluorophenyl)-5-imino-3-methylpentan-1-ol?
The canonical SMILES for 3-(2-fluorophenyl)-5-imino-3-methylpentan-1-ol is [H]/N=C\CC(C)(CCO)c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-5-imino-3-methylpentan-1-ol?
The InChIKey is IURQALLJZGGYIS-ZSOIEALJSA-N. The full InChI is InChI=1S/C12H16FNO/c1-12(6-8-14,7-9-15)10-4-2-3-5-11(10)13/h2-5,8,14-15H,6-7,9H2,1H3/b14-8-.
What are the key properties of 3-(2-fluorophenyl)-5-imino-3-methylpentan-1-ol?
3-(2-fluorophenyl)-5-imino-3-methylpentan-1-ol has a molecular weight of 209.26 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-imino-3-methylpentan-1-ol is sourced from PubChem (CID 174322160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).