2-(1-fluoroprop-2-enyl)phenol

C9H9FO — CID 69237560

IUPAC2-(1-fluoroprop-2-enyl)phenol
SMILESC=CC(F)c1ccccc1O
InChIInChI=1S/C9H9FO/c1-2-8(10)7-5-3-4-6-9(7)11/h2-6,8,11H,1H2
InChIKeyMQDQYPXCSATTTR-UHFFFAOYSA-N
MW152.17 g/mol
LogP2.59
Rot. Bonds2

About 2-(1-fluoroprop-2-enyl)phenol

2-(1-fluoroprop-2-enyl)phenol (PubChem CID 69237560) has the molecular formula C9H9FO and a molecular weight of 152.17 g/mol. Its IUPAC name is 2-(1-fluoroprop-2-enyl)phenol.

Molecular Properties

Compound Name2-(1-fluoroprop-2-enyl)phenol
PubChem CID69237560
Molecular FormulaC9H9FO
Molecular Weight152.17 g/mol
Exact Mass152.06
IUPAC Name2-(1-fluoroprop-2-enyl)phenol
SMILESC=CC(F)c1ccccc1O
InChIInChI=1S/C9H9FO/c1-2-8(10)7-5-3-4-6-9(7)11/h2-6,8,11H,1H2
InChIKeyMQDQYPXCSATTTR-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroprop-2-enyl)phenol?
The IUPAC name of 2-(1-fluoroprop-2-enyl)phenol (CID 69237560) is 2-(1-fluoroprop-2-enyl)phenol.
What is the SMILES notation for 2-(1-fluoroprop-2-enyl)phenol?
The canonical SMILES for 2-(1-fluoroprop-2-enyl)phenol is C=CC(F)c1ccccc1O.
What is the InChIKey of 2-(1-fluoroprop-2-enyl)phenol?
The InChIKey is MQDQYPXCSATTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO/c1-2-8(10)7-5-3-4-6-9(7)11/h2-6,8,11H,1H2.
What are the key properties of 2-(1-fluoroprop-2-enyl)phenol?
2-(1-fluoroprop-2-enyl)phenol has a molecular weight of 152.17 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroprop-2-enyl)phenol is sourced from PubChem (CID 69237560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).