3-(4-fluorophenyl)cyclobut-3-ene-1,2-diol

C10H9FO2 — CID 130142404

IUPAC3-(4-fluorophenyl)cyclobut-3-ene-1,2-diol
SMILESOC1C=C(c2ccc(F)cc2)C1O
InChIInChI=1S/C10H9FO2/c11-7-3-1-6(2-4-7)8-5-9(12)10(8)13/h1-5,9-10,12-13H
InChIKeyNLEUJFDPUDBXKJ-UHFFFAOYSA-N
MW180.18 g/mol
LogP0.94
Rot. Bonds1

About 3-(4-fluorophenyl)cyclobut-3-ene-1,2-diol

3-(4-fluorophenyl)cyclobut-3-ene-1,2-diol (PubChem CID 130142404) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is 3-(4-fluorophenyl)cyclobut-3-ene-1,2-diol.

Molecular Properties

Compound Name3-(4-fluorophenyl)cyclobut-3-ene-1,2-diol
PubChem CID130142404
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name3-(4-fluorophenyl)cyclobut-3-ene-1,2-diol
SMILESOC1C=C(c2ccc(F)cc2)C1O
InChIInChI=1S/C10H9FO2/c11-7-3-1-6(2-4-7)8-5-9(12)10(8)13/h1-5,9-10,12-13H
InChIKeyNLEUJFDPUDBXKJ-UHFFFAOYSA-N
XLogP0.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-fluoro-4-(4-fluorophenyl)benzene;formaldehyde
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methyl 3-(4-fluorophenyl)-1,4,5-trihydroxycyclohex-2-ene-1-carboxylate
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[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)cyclobut-3-ene-1,2-diol?
The IUPAC name of 3-(4-fluorophenyl)cyclobut-3-ene-1,2-diol (CID 130142404) is 3-(4-fluorophenyl)cyclobut-3-ene-1,2-diol.
What is the SMILES notation for 3-(4-fluorophenyl)cyclobut-3-ene-1,2-diol?
The canonical SMILES for 3-(4-fluorophenyl)cyclobut-3-ene-1,2-diol is OC1C=C(c2ccc(F)cc2)C1O.
What is the InChIKey of 3-(4-fluorophenyl)cyclobut-3-ene-1,2-diol?
The InChIKey is NLEUJFDPUDBXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c11-7-3-1-6(2-4-7)8-5-9(12)10(8)13/h1-5,9-10,12-13H.
What are the key properties of 3-(4-fluorophenyl)cyclobut-3-ene-1,2-diol?
3-(4-fluorophenyl)cyclobut-3-ene-1,2-diol has a molecular weight of 180.18 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)cyclobut-3-ene-1,2-diol is sourced from PubChem (CID 130142404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).