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

C9H9FO — CID 164853949

IUPAC2-fluoro-1-phenylprop-1-en-1-ol
SMILESCC(F)=C(O)c1ccccc1
InChIInChI=1S/C9H9FO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6,11H,1H3
InChIKeyUFKPXQOTNXHUPD-UHFFFAOYSA-N
MW152.17 g/mol
LogP2.90
Rot. Bonds1

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

2-fluoro-1-phenylprop-1-en-1-ol (PubChem CID 164853949) has the molecular formula C9H9FO and a molecular weight of 152.17 g/mol. Its IUPAC name is 2-fluoro-1-phenylprop-1-en-1-ol.

Molecular Properties

Compound Name2-fluoro-1-phenylprop-1-en-1-ol
PubChem CID164853949
Molecular FormulaC9H9FO
Molecular Weight152.17 g/mol
Exact Mass152.06
IUPAC Name2-fluoro-1-phenylprop-1-en-1-ol
SMILESCC(F)=C(O)c1ccccc1
InChIInChI=1S/C9H9FO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6,11H,1H3
InChIKeyUFKPXQOTNXHUPD-UHFFFAOYSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 52.90
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

ethane;[(E)-3-fluorobut-2-en-2-yl]benzene
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(Z)-1,2-diphenylethene-1,2-diol
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(Z)-2,3-difluoro-1-phenylbut-2-en-1-one
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sodium (E)-1-hydroxy-1-phenylprop-1-en-2-olate
CID 139880916
prop-1-en-2-ylbenzene;1,1,2,2-tetrafluoroethene
CID 161134762
(Z)-2-methyl-1-phenylprop-1-ene-1,3-diol
CID 131346173
CID 12505640
CID 12505640
1-fluoro-N,N-dimethyl-2,2-diphenylethenamine
CID 23105494
(Z)-3-hydroxy-2-methyl-3-phenylprop-2-enenitrile
CID 102248734
(E)-2-fluoro-3-phenylbut-2-en-1-ol
CID 102075311
(Z)-2-fluoro-3-phenylbut-2-en-1-ol
CID 13492187
(2,7-dimethyl-6-phenylocta-2,6-dien-4-yn-3-yl)benzene
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-phenylprop-1-en-1-ol?
The IUPAC name of 2-fluoro-1-phenylprop-1-en-1-ol (CID 164853949) is 2-fluoro-1-phenylprop-1-en-1-ol.
What is the SMILES notation for 2-fluoro-1-phenylprop-1-en-1-ol?
The canonical SMILES for 2-fluoro-1-phenylprop-1-en-1-ol is CC(F)=C(O)c1ccccc1.
What is the InChIKey of 2-fluoro-1-phenylprop-1-en-1-ol?
The InChIKey is UFKPXQOTNXHUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6,11H,1H3.
What are the key properties of 2-fluoro-1-phenylprop-1-en-1-ol?
2-fluoro-1-phenylprop-1-en-1-ol has a molecular weight of 152.17 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-phenylprop-1-en-1-ol is sourced from PubChem (CID 164853949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).