[1-[[1-(4-fluorophenyl)ethylideneamino]methyl]cyclopropyl]methanol

C13H16FNO — CID 87945987

IUPAC[1-[[1-(4-fluorophenyl)ethylideneamino]methyl]cyclopropyl]methanol
SMILESC/C(=N\CC1(CO)CC1)c1ccc(F)cc1
InChIInChI=1S/C13H16FNO/c1-10(11-2-4-12(14)5-3-11)15-8-13(9-16)6-7-13/h2-5,16H,6-9H2,1H3/b15-10+
InChIKeyZCYUOKUBGZPPDF-XNTDXEJSSA-N
MW221.28 g/mol
LogP2.41
Rot. Bonds4

About [1-[[1-(4-fluorophenyl)ethylideneamino]methyl]cyclopropyl]methanol

[1-[[1-(4-fluorophenyl)ethylideneamino]methyl]cyclopropyl]methanol (PubChem CID 87945987) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is [1-[[1-(4-fluorophenyl)ethylideneamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[1-(4-fluorophenyl)ethylideneamino]methyl]cyclopropyl]methanol
PubChem CID87945987
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name[1-[[1-(4-fluorophenyl)ethylideneamino]methyl]cyclopropyl]methanol
SMILESC/C(=N\CC1(CO)CC1)c1ccc(F)cc1
InChIInChI=1S/C13H16FNO/c1-10(11-2-4-12(14)5-3-11)15-8-13(9-16)6-7-13/h2-5,16H,6-9H2,1H3/b15-10+
InChIKeyZCYUOKUBGZPPDF-XNTDXEJSSA-N
XLogP2.41
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [1-[[1-(4-fluorophenyl)ethylideneamino]methyl]cyclopropyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(4-fluorophenyl)ethylideneamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[1-(4-fluorophenyl)ethylideneamino]methyl]cyclopropyl]methanol (CID 87945987) is [1-[[1-(4-fluorophenyl)ethylideneamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[1-(4-fluorophenyl)ethylideneamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[1-(4-fluorophenyl)ethylideneamino]methyl]cyclopropyl]methanol is C/C(=N\CC1(CO)CC1)c1ccc(F)cc1.
What is the InChIKey of [1-[[1-(4-fluorophenyl)ethylideneamino]methyl]cyclopropyl]methanol?
The InChIKey is ZCYUOKUBGZPPDF-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H16FNO/c1-10(11-2-4-12(14)5-3-11)15-8-13(9-16)6-7-13/h2-5,16H,6-9H2,1H3/b15-10+.
What are the key properties of [1-[[1-(4-fluorophenyl)ethylideneamino]methyl]cyclopropyl]methanol?
[1-[[1-(4-fluorophenyl)ethylideneamino]methyl]cyclopropyl]methanol has a molecular weight of 221.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(4-fluorophenyl)ethylideneamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 87945987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).