(Z)-1-(4-fluorophenyl)-2-methyliminohex-3-en-1-ol

C13H16FNO — CID 145107690

IUPAC(Z)-1-(4-fluorophenyl)-2-methyliminohex-3-en-1-ol
SMILESCC/C=C\C(=N/C)C(O)c1ccc(F)cc1
InChIInChI=1S/C13H16FNO/c1-3-4-5-12(15-2)13(16)10-6-8-11(14)9-7-10/h4-9,13,16H,3H2,1-2H3/b5-4-,15-12+
InChIKeyRQSGMRGRAVJESJ-XXUPZHKPSA-N
MW221.27 g/mol
LogP2.90
Rot. Bonds4

About (Z)-1-(4-fluorophenyl)-2-methyliminohex-3-en-1-ol

(Z)-1-(4-fluorophenyl)-2-methyliminohex-3-en-1-ol (PubChem CID 145107690) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is (Z)-1-(4-fluorophenyl)-2-methyliminohex-3-en-1-ol.

Molecular Properties

Compound Name(Z)-1-(4-fluorophenyl)-2-methyliminohex-3-en-1-ol
PubChem CID145107690
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name(Z)-1-(4-fluorophenyl)-2-methyliminohex-3-en-1-ol
SMILESCC/C=C\C(=N/C)C(O)c1ccc(F)cc1
InChIInChI=1S/C13H16FNO/c1-3-4-5-12(15-2)13(16)10-6-8-11(14)9-7-10/h4-9,13,16H,3H2,1-2H3/b5-4-,15-12+
InChIKeyRQSGMRGRAVJESJ-XXUPZHKPSA-N
XLogP2.90
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 52.90
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 (Z)-1-(4-fluorophenyl)-2-methyliminohex-3-en-1-ol?
The IUPAC name of (Z)-1-(4-fluorophenyl)-2-methyliminohex-3-en-1-ol (CID 145107690) is (Z)-1-(4-fluorophenyl)-2-methyliminohex-3-en-1-ol.
What is the SMILES notation for (Z)-1-(4-fluorophenyl)-2-methyliminohex-3-en-1-ol?
The canonical SMILES for (Z)-1-(4-fluorophenyl)-2-methyliminohex-3-en-1-ol is CC/C=C\C(=N/C)C(O)c1ccc(F)cc1.
What is the InChIKey of (Z)-1-(4-fluorophenyl)-2-methyliminohex-3-en-1-ol?
The InChIKey is RQSGMRGRAVJESJ-XXUPZHKPSA-N. The full InChI is InChI=1S/C13H16FNO/c1-3-4-5-12(15-2)13(16)10-6-8-11(14)9-7-10/h4-9,13,16H,3H2,1-2H3/b5-4-,15-12+.
What are the key properties of (Z)-1-(4-fluorophenyl)-2-methyliminohex-3-en-1-ol?
(Z)-1-(4-fluorophenyl)-2-methyliminohex-3-en-1-ol has a molecular weight of 221.27 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-fluorophenyl)-2-methyliminohex-3-en-1-ol is sourced from PubChem (CID 145107690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).