3-fluoro-1-phenylprop-1-en-2-ol

C9H9FO — CID 172850528

IUPAC3-fluoro-1-phenylprop-1-en-2-ol
SMILESOC(=Cc1ccccc1)CF
InChIInChI=1S/C9H9FO/c10-7-9(11)6-8-4-2-1-3-5-8/h1-6,11H,7H2
InChIKeyXZTZCHPFFPYICU-UHFFFAOYSA-N
MW152.17 g/mol
LogP2.56
Rot. Bonds2

About 3-fluoro-1-phenylprop-1-en-2-ol

3-fluoro-1-phenylprop-1-en-2-ol (PubChem CID 172850528) has the molecular formula C9H9FO and a molecular weight of 152.17 g/mol. Its IUPAC name is 3-fluoro-1-phenylprop-1-en-2-ol.

Molecular Properties

Compound Name3-fluoro-1-phenylprop-1-en-2-ol
PubChem CID172850528
Molecular FormulaC9H9FO
Molecular Weight152.17 g/mol
Exact Mass152.06
IUPAC Name3-fluoro-1-phenylprop-1-en-2-ol
SMILESOC(=Cc1ccccc1)CF
InChIInChI=1S/C9H9FO/c10-7-9(11)6-8-4-2-1-3-5-8/h1-6,11H,7H2
InChIKeyXZTZCHPFFPYICU-UHFFFAOYSA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-fluoro-1-phenylprop-1-en-2-yl)-dimethylsilane
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1-phenylbuta-1,3-dien-2-ol
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CID 11750295
CID 11750295
[(1E)-3-fluoro-2-methylbuta-1,3-dienyl]benzene
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2,2-dibromo(113C)ethenylbenzene
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[2-fluoro-2-(1-fluoro-2-phenylethenyl)sulfanylethenyl]benzene
CID 66730141
[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]benzene
CID 640491
(Z)-1-[2-[(Z)-1-amino-2-phenylethenyl]phenyl]-2-phenylethenamine
CID 126612828
2,2-difluoroethenylbenzene;1,1-difluoroprop-1-ene
CID 90783714
[(1Z)-2-(iodomethyl)buta-1,3-dienyl]benzene
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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-phenylprop-1-en-2-ol?
The IUPAC name of 3-fluoro-1-phenylprop-1-en-2-ol (CID 172850528) is 3-fluoro-1-phenylprop-1-en-2-ol.
What is the SMILES notation for 3-fluoro-1-phenylprop-1-en-2-ol?
The canonical SMILES for 3-fluoro-1-phenylprop-1-en-2-ol is OC(=Cc1ccccc1)CF.
What is the InChIKey of 3-fluoro-1-phenylprop-1-en-2-ol?
The InChIKey is XZTZCHPFFPYICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO/c10-7-9(11)6-8-4-2-1-3-5-8/h1-6,11H,7H2.
What are the key properties of 3-fluoro-1-phenylprop-1-en-2-ol?
3-fluoro-1-phenylprop-1-en-2-ol has a molecular weight of 152.17 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-phenylprop-1-en-2-ol is sourced from PubChem (CID 172850528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).