3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol

C10H12F4O2 — CID 162604225

IUPAC3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol
SMILESCC=CCC1=C(C)C(F)(F)C(O)(O)C1(F)F
InChIInChI=1S/C10H12F4O2/c1-3-4-5-7-6(2)8(11,12)10(15,16)9(7,13)14/h3-4,15-16H,5H2,1-2H3
InChIKeyDJELDMPDHKZVGW-UHFFFAOYSA-N
MW240.20 g/mol
LogP2.23
Rot. Bonds2

About 3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol

3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol (PubChem CID 162604225) has the molecular formula C10H12F4O2 and a molecular weight of 240.20 g/mol. Its IUPAC name is 3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol.

Molecular Properties

Compound Name3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol
PubChem CID162604225
Molecular FormulaC10H12F4O2
Molecular Weight240.20 g/mol
Exact Mass240.08
IUPAC Name3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol
SMILESCC=CCC1=C(C)C(F)(F)C(O)(O)C1(F)F
InChIInChI=1S/C10H12F4O2/c1-3-4-5-7-6(2)8(11,12)10(15,16)9(7,13)14/h3-4,15-16H,5H2,1-2H3
InChIKeyDJELDMPDHKZVGW-UHFFFAOYSA-N
XLogP2.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.20
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1,4,5,5,6,6-Hexafluorocyclohex-2-en-1-yl)propane-1,1-diol
CID 172858111
3-But-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol;carbanide;uranium(2+)
CID 162604224

Frequently Asked Questions

What is the IUPAC name of 3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol?
The IUPAC name of 3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol (CID 162604225) is 3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol.
What is the SMILES notation for 3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol?
The canonical SMILES for 3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol is CC=CCC1=C(C)C(F)(F)C(O)(O)C1(F)F.
What is the InChIKey of 3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol?
The InChIKey is DJELDMPDHKZVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4O2/c1-3-4-5-7-6(2)8(11,12)10(15,16)9(7,13)14/h3-4,15-16H,5H2,1-2H3.
What are the key properties of 3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol?
3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol has a molecular weight of 240.20 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-enyl-2,2,5,5-tetrafluoro-4-methylcyclopent-3-ene-1,1-diol is sourced from PubChem (CID 162604225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).