2,2-difluoro-3-methylbut-3-en-1-ol

C5H8F2O — CID 13300551

IUPAC2,2-difluoro-3-methylbut-3-en-1-ol
SMILESC=C(C)C(F)(F)CO
InChIInChI=1S/C5H8F2O/c1-4(2)5(6,7)3-8/h8H,1,3H2,2H3
InChIKeyFVOBCUWMZOEZAI-UHFFFAOYSA-N
MW122.11 g/mol
LogP1.19
Rot. Bonds2

About 2,2-difluoro-3-methylbut-3-en-1-ol

2,2-difluoro-3-methylbut-3-en-1-ol (PubChem CID 13300551) has the molecular formula C5H8F2O and a molecular weight of 122.11 g/mol. Its IUPAC name is 2,2-difluoro-3-methylbut-3-en-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-methylbut-3-en-1-ol
PubChem CID13300551
Molecular FormulaC5H8F2O
Molecular Weight122.11 g/mol
Exact Mass122.05
IUPAC Name2,2-difluoro-3-methylbut-3-en-1-ol
SMILESC=C(C)C(F)(F)CO
InChIInChI=1S/C5H8F2O/c1-4(2)5(6,7)3-8/h8H,1,3H2,2H3
InChIKeyFVOBCUWMZOEZAI-UHFFFAOYSA-N
XLogP1.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.11
LogP ≤ 51.19
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 2,2-difluoro-3-methylbut-3-en-1-ol?
The IUPAC name of 2,2-difluoro-3-methylbut-3-en-1-ol (CID 13300551) is 2,2-difluoro-3-methylbut-3-en-1-ol.
What is the SMILES notation for 2,2-difluoro-3-methylbut-3-en-1-ol?
The canonical SMILES for 2,2-difluoro-3-methylbut-3-en-1-ol is C=C(C)C(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-methylbut-3-en-1-ol?
The InChIKey is FVOBCUWMZOEZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O/c1-4(2)5(6,7)3-8/h8H,1,3H2,2H3.
What are the key properties of 2,2-difluoro-3-methylbut-3-en-1-ol?
2,2-difluoro-3-methylbut-3-en-1-ol has a molecular weight of 122.11 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-methylbut-3-en-1-ol is sourced from PubChem (CID 13300551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).