1,4-difluorocyclobut-2-yn-1-ol

C4H2F2O — CID 139484432

IUPAC1,4-difluorocyclobut-2-yn-1-ol
SMILESOC1(F)C#CC1F
InChIInChI=1S/C4H2F2O/c5-3-1-2-4(3,6)7/h3,7H
InChIKeyFRNURABKXIXZGO-UHFFFAOYSA-N
MW104.05 g/mol
LogP-0.00
Rot. Bonds

About 1,4-difluorocyclobut-2-yn-1-ol

1,4-difluorocyclobut-2-yn-1-ol (PubChem CID 139484432) has the molecular formula C4H2F2O and a molecular weight of 104.05 g/mol. Its IUPAC name is 1,4-difluorocyclobut-2-yn-1-ol.

Molecular Properties

Compound Name1,4-difluorocyclobut-2-yn-1-ol
PubChem CID139484432
Molecular FormulaC4H2F2O
Molecular Weight104.05 g/mol
Exact Mass104.01
IUPAC Name1,4-difluorocyclobut-2-yn-1-ol
SMILESOC1(F)C#CC1F
InChIInChI=1S/C4H2F2O/c5-3-1-2-4(3,6)7/h3,7H
InChIKeyFRNURABKXIXZGO-UHFFFAOYSA-N
XLogP-0.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.05
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 89354580
1,2-difluorocyclobutan-1-ol
CID 54197601
1,2,2,3,3,4-hexafluorocyclobutan-1-ol
CID 91449587
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CID 59685229
2,2,5-trifluoro-4-(hydroxymethyl)-1,3-dioxolan-4-ol
CID 131967198
2,3,4,5-tetrafluorocyclohexa-1,5-diene-1,4-diol
CID 89420440
cyclohexane-1,1,2,2,3,4,4,5,5,6-decol
CID 174675160
2,2,3-trifluorothiirane
CID 54324343
bis(2,2-difluoroethenol);(rutherfordium)
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4,4,5-trifluoro-2-hydroxy-1,3,2-dioxaborolane
CID 150591171
(2S,3S,5S,6S)-1-fluorocyclohexane-1,2,3,4,5,6-hexol
CID 67417215

Frequently Asked Questions

What is the IUPAC name of 1,4-difluorocyclobut-2-yn-1-ol?
The IUPAC name of 1,4-difluorocyclobut-2-yn-1-ol (CID 139484432) is 1,4-difluorocyclobut-2-yn-1-ol.
What is the SMILES notation for 1,4-difluorocyclobut-2-yn-1-ol?
The canonical SMILES for 1,4-difluorocyclobut-2-yn-1-ol is OC1(F)C#CC1F.
What is the InChIKey of 1,4-difluorocyclobut-2-yn-1-ol?
The InChIKey is FRNURABKXIXZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F2O/c5-3-1-2-4(3,6)7/h3,7H.
What are the key properties of 1,4-difluorocyclobut-2-yn-1-ol?
1,4-difluorocyclobut-2-yn-1-ol has a molecular weight of 104.05 g/mol, XLogP of -0.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluorocyclobut-2-yn-1-ol is sourced from PubChem (CID 139484432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).