2-(1-fluoroethenyl)-2-methylcyclopropane-1,1-diol

C6H9FO2 — CID 89226013

IUPAC2-(1-fluoroethenyl)-2-methylcyclopropane-1,1-diol
SMILESC=C(F)C1(C)CC1(O)O
InChIInChI=1S/C6H9FO2/c1-4(7)5(2)3-6(5,8)9/h8-9H,1,3H2,2H3
InChIKeyFDWPJFUNLFXSDB-UHFFFAOYSA-N
MW132.13 g/mol
LogP0.56
Rot. Bonds1

About 2-(1-fluoroethenyl)-2-methylcyclopropane-1,1-diol

2-(1-fluoroethenyl)-2-methylcyclopropane-1,1-diol (PubChem CID 89226013) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is 2-(1-fluoroethenyl)-2-methylcyclopropane-1,1-diol.

Molecular Properties

Compound Name2-(1-fluoroethenyl)-2-methylcyclopropane-1,1-diol
PubChem CID89226013
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Name2-(1-fluoroethenyl)-2-methylcyclopropane-1,1-diol
SMILESC=C(F)C1(C)CC1(O)O
InChIInChI=1S/C6H9FO2/c1-4(7)5(2)3-6(5,8)9/h8-9H,1,3H2,2H3
InChIKeyFDWPJFUNLFXSDB-UHFFFAOYSA-N
XLogP0.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethenyl)-2-methylcyclopropane-1,1-diol?
The IUPAC name of 2-(1-fluoroethenyl)-2-methylcyclopropane-1,1-diol (CID 89226013) is 2-(1-fluoroethenyl)-2-methylcyclopropane-1,1-diol.
What is the SMILES notation for 2-(1-fluoroethenyl)-2-methylcyclopropane-1,1-diol?
The canonical SMILES for 2-(1-fluoroethenyl)-2-methylcyclopropane-1,1-diol is C=C(F)C1(C)CC1(O)O.
What is the InChIKey of 2-(1-fluoroethenyl)-2-methylcyclopropane-1,1-diol?
The InChIKey is FDWPJFUNLFXSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO2/c1-4(7)5(2)3-6(5,8)9/h8-9H,1,3H2,2H3.
What are the key properties of 2-(1-fluoroethenyl)-2-methylcyclopropane-1,1-diol?
2-(1-fluoroethenyl)-2-methylcyclopropane-1,1-diol has a molecular weight of 132.13 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethenyl)-2-methylcyclopropane-1,1-diol is sourced from PubChem (CID 89226013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).