3-(4-fluorophenyl)-2-iminopropan-1-ol

C9H10FNO — CID 58458935

IUPAC3-(4-fluorophenyl)-2-iminopropan-1-ol
SMILES[H]/N=C(\CO)Cc1ccc(F)cc1
InChIInChI=1S/C9H10FNO/c10-8-3-1-7(2-4-8)5-9(11)6-12/h1-4,11-12H,5-6H2/b11-9-
InChIKeyYTNPTTABIMZRRI-LUAWRHEFSA-N
MW167.18 g/mol
LogP1.38
Rot. Bonds3

About 3-(4-fluorophenyl)-2-iminopropan-1-ol

3-(4-fluorophenyl)-2-iminopropan-1-ol (PubChem CID 58458935) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-iminopropan-1-ol.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-iminopropan-1-ol
PubChem CID58458935
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name3-(4-fluorophenyl)-2-iminopropan-1-ol
SMILES[H]/N=C(\CO)Cc1ccc(F)cc1
InChIInChI=1S/C9H10FNO/c10-8-3-1-7(2-4-8)5-9(11)6-12/h1-4,11-12H,5-6H2/b11-9-
InChIKeyYTNPTTABIMZRRI-LUAWRHEFSA-N
XLogP1.38
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Fluorophenyl)propan-1-ol
CID 13747241
(2Z)-2-hydroxyimino-2-phenylethanol
CID 13152438
3-(2-Fluorophenyl)propan-1-ol
CID 12618517
Methyl 4-(4-fluorophenyl)butanimidate
CID 95437587
2-Methoxy-1-phenylethan-1-imine
CID 17979406
2-(Hydroxyimino)-2-phenylethan-1-ol
CID 57373391
2-Imino-1-hydroxy-1-phenylpropane
CID 58308766
Ethyl-2-(3-fluorophenyl)acetimidate hydrochloride
CID 89801958
Methyl 2-(4-fluorophenyl)ethanimidate
CID 425537
Ethyl 2-(2,6-difluorophenyl)ethanimidate
CID 10330377
Ethyl 2-(3-fluorophenyl)ethanimidate
CID 10397414
Ethyl 2-(2-fluorophenyl)ethanimidate
CID 10419798

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-iminopropan-1-ol?
The IUPAC name of 3-(4-fluorophenyl)-2-iminopropan-1-ol (CID 58458935) is 3-(4-fluorophenyl)-2-iminopropan-1-ol.
What is the SMILES notation for 3-(4-fluorophenyl)-2-iminopropan-1-ol?
The canonical SMILES for 3-(4-fluorophenyl)-2-iminopropan-1-ol is [H]/N=C(\CO)Cc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-iminopropan-1-ol?
The InChIKey is YTNPTTABIMZRRI-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H10FNO/c10-8-3-1-7(2-4-8)5-9(11)6-12/h1-4,11-12H,5-6H2/b11-9-.
What are the key properties of 3-(4-fluorophenyl)-2-iminopropan-1-ol?
3-(4-fluorophenyl)-2-iminopropan-1-ol has a molecular weight of 167.18 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-iminopropan-1-ol is sourced from PubChem (CID 58458935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).