3-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]iminoprop-1-en-2-ol

C12H12FNO — CID 163265777

IUPAC3-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]iminoprop-1-en-2-ol
SMILESC=C(O)/C(=N\C=C/C)c1ccc(F)cc1
InChIInChI=1S/C12H12FNO/c1-3-8-14-12(9(2)15)10-4-6-11(13)7-5-10/h3-8,15H,2H2,1H3/b8-3-,14-12+
InChIKeyZBJUNRNBEWTTOD-YPZMYGPVSA-N
MW205.23 g/mol
LogP3.22
Rot. Bonds3

About 3-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]iminoprop-1-en-2-ol

3-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]iminoprop-1-en-2-ol (PubChem CID 163265777) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]iminoprop-1-en-2-ol.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]iminoprop-1-en-2-ol
PubChem CID163265777
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name3-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]iminoprop-1-en-2-ol
SMILESC=C(O)/C(=N\C=C/C)c1ccc(F)cc1
InChIInChI=1S/C12H12FNO/c1-3-8-14-12(9(2)15)10-4-6-11(13)7-5-10/h3-8,15H,2H2,1H3/b8-3-,14-12+
InChIKeyZBJUNRNBEWTTOD-YPZMYGPVSA-N
XLogP3.22
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 53.22
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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Related Compounds

1-[C-(2-fluorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol
CID 13771616
1-[5-fluoro-2-[N-[(1Z,3E)-hexa-1,3-dienyl]-C-methylcarbonimidoyl]phenyl]ethenol
CID 134287066
3-(4-fluorophenyl)-2H-1,4-oxazine
CID 141044724
3-(4-Fluorophenyl)-3-methyliminoprop-1-en-2-ol
CID 145145916
3-Ethylimino-3-(4-fluorophenyl)prop-1-en-2-ol
CID 145146157
N-ethyl-1-(4-fluorophenyl)-2-methoxyprop-2-en-1-imine
CID 147496972
1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethanol
CID 147898535
1-(4-Fluorophenyl)-1-methyliminopropan-2-ol
CID 149089454
2-ethoxy-N-ethyl-1-(4-fluorophenyl)prop-2-en-1-imine
CID 149421803
1-Ethylimino-1-(4-fluorophenyl)propan-2-ol
CID 152817869
3-(3-Fluorophenyl)-3-iminoprop-1-en-2-ol
CID 155281095
1-[C-(3-fluorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol
CID 156538445

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]iminoprop-1-en-2-ol?
The IUPAC name of 3-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]iminoprop-1-en-2-ol (CID 163265777) is 3-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]iminoprop-1-en-2-ol.
What is the SMILES notation for 3-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]iminoprop-1-en-2-ol?
The canonical SMILES for 3-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]iminoprop-1-en-2-ol is C=C(O)/C(=N\C=C/C)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]iminoprop-1-en-2-ol?
The InChIKey is ZBJUNRNBEWTTOD-YPZMYGPVSA-N. The full InChI is InChI=1S/C12H12FNO/c1-3-8-14-12(9(2)15)10-4-6-11(13)7-5-10/h3-8,15H,2H2,1H3/b8-3-,14-12+.
What are the key properties of 3-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]iminoprop-1-en-2-ol?
3-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]iminoprop-1-en-2-ol has a molecular weight of 205.23 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]iminoprop-1-en-2-ol is sourced from PubChem (CID 163265777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).