(Z)-1-(4-fluorophenyl)-4-methyl-1-methyliminopent-2-en-2-ol

C13H16FNO — CID 166783324

IUPAC(Z)-1-(4-fluorophenyl)-4-methyl-1-methyliminopent-2-en-2-ol
SMILESC/N=C(C(\O)=C\C(C)C)/c1ccc(F)cc1
InChIInChI=1S/C13H16FNO/c1-9(2)8-12(16)13(15-3)10-4-6-11(14)7-5-10/h4-9,16H,1-3H3/b12-8-,15-13-
InChIKeyUBOWJHVQNRYYSV-CSMXQEMDSA-N
MW221.28 g/mol
LogP3.34
Rot. Bonds3

About (Z)-1-(4-fluorophenyl)-4-methyl-1-methyliminopent-2-en-2-ol

(Z)-1-(4-fluorophenyl)-4-methyl-1-methyliminopent-2-en-2-ol (PubChem CID 166783324) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is (Z)-1-(4-fluorophenyl)-4-methyl-1-methyliminopent-2-en-2-ol.

Molecular Properties

Compound Name(Z)-1-(4-fluorophenyl)-4-methyl-1-methyliminopent-2-en-2-ol
PubChem CID166783324
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name(Z)-1-(4-fluorophenyl)-4-methyl-1-methyliminopent-2-en-2-ol
SMILESC/N=C(C(\O)=C\C(C)C)/c1ccc(F)cc1
InChIInChI=1S/C13H16FNO/c1-9(2)8-12(16)13(15-3)10-4-6-11(14)7-5-10/h4-9,16H,1-3H3/b12-8-,15-13-
InChIKeyUBOWJHVQNRYYSV-CSMXQEMDSA-N
XLogP3.34
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-fluorophenyl)-4-methyl-1-methyliminopent-2-en-2-ol?
The IUPAC name of (Z)-1-(4-fluorophenyl)-4-methyl-1-methyliminopent-2-en-2-ol (CID 166783324) is (Z)-1-(4-fluorophenyl)-4-methyl-1-methyliminopent-2-en-2-ol.
What is the SMILES notation for (Z)-1-(4-fluorophenyl)-4-methyl-1-methyliminopent-2-en-2-ol?
The canonical SMILES for (Z)-1-(4-fluorophenyl)-4-methyl-1-methyliminopent-2-en-2-ol is C/N=C(C(\O)=C\C(C)C)/c1ccc(F)cc1.
What is the InChIKey of (Z)-1-(4-fluorophenyl)-4-methyl-1-methyliminopent-2-en-2-ol?
The InChIKey is UBOWJHVQNRYYSV-CSMXQEMDSA-N. The full InChI is InChI=1S/C13H16FNO/c1-9(2)8-12(16)13(15-3)10-4-6-11(14)7-5-10/h4-9,16H,1-3H3/b12-8-,15-13-.
What are the key properties of (Z)-1-(4-fluorophenyl)-4-methyl-1-methyliminopent-2-en-2-ol?
(Z)-1-(4-fluorophenyl)-4-methyl-1-methyliminopent-2-en-2-ol has a molecular weight of 221.28 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-fluorophenyl)-4-methyl-1-methyliminopent-2-en-2-ol is sourced from PubChem (CID 166783324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).