1-(2,5-difluorophenyl)prop-2-en-1-ol

C9H8F2O — CID 58950540

IUPAC1-(2,5-difluorophenyl)prop-2-en-1-ol
SMILESC=CC(O)c1cc(F)ccc1F
InChIInChI=1S/C9H8F2O/c1-2-9(12)7-5-6(10)3-4-8(7)11/h2-5,9,12H,1H2
InChIKeyQBPGBQXZTUSKTO-UHFFFAOYSA-N
MW170.16 g/mol
LogP2.18
Rot. Bonds2

About 1-(2,5-difluorophenyl)prop-2-en-1-ol

1-(2,5-difluorophenyl)prop-2-en-1-ol (PubChem CID 58950540) has the molecular formula C9H8F2O and a molecular weight of 170.16 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)prop-2-en-1-ol
PubChem CID58950540
Molecular FormulaC9H8F2O
Molecular Weight170.16 g/mol
Exact Mass170.05
IUPAC Name1-(2,5-difluorophenyl)prop-2-en-1-ol
SMILESC=CC(O)c1cc(F)ccc1F
InChIInChI=1S/C9H8F2O/c1-2-9(12)7-5-6(10)3-4-8(7)11/h2-5,9,12H,1H2
InChIKeyQBPGBQXZTUSKTO-UHFFFAOYSA-N
XLogP2.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluoro-2-propan-2-ylphenyl)prop-2-en-1-ol
CID 176716143
2-(1-chloroprop-2-enyl)-1,4-difluorobenzene
CID 69215793
(1R)-1-(2,5-difluorophenyl)prop-2-en-1-amine
CID 55278051
1-(2,5-difluorophenyl)prop-2-en-1-amine
CID 55282989
ethane;1-(4-fluoro-2-methylphenyl)prop-2-en-1-ol
CID 176716116
1-(5-fluoro-2-propylphenyl)prop-2-en-1-ol
CID 176716078
1-(5-fluoro-1H-indol-3-yl)prop-2-en-1-ol
CID 68783636
2-cyclopentyl-1-(2,5-difluorophenyl)ethanol
CID 61101489
3-[bis(prop-2-enyl)amino]-1-(2,5-difluorophenyl)propan-1-ol
CID 82074388
cycloheptyl-(2,5-difluorophenyl)methanol
CID 55091243
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 62802735
(R)-cycloheptyl-(2,5-difluorophenyl)methanol
CID 94502433

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)prop-2-en-1-ol?
The IUPAC name of 1-(2,5-difluorophenyl)prop-2-en-1-ol (CID 58950540) is 1-(2,5-difluorophenyl)prop-2-en-1-ol.
What is the SMILES notation for 1-(2,5-difluorophenyl)prop-2-en-1-ol?
The canonical SMILES for 1-(2,5-difluorophenyl)prop-2-en-1-ol is C=CC(O)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)prop-2-en-1-ol?
The InChIKey is QBPGBQXZTUSKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O/c1-2-9(12)7-5-6(10)3-4-8(7)11/h2-5,9,12H,1H2.
What are the key properties of 1-(2,5-difluorophenyl)prop-2-en-1-ol?
1-(2,5-difluorophenyl)prop-2-en-1-ol has a molecular weight of 170.16 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)prop-2-en-1-ol is sourced from PubChem (CID 58950540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).