3-(fluoromethyl)but-3-en-1-ol

C5H9FO — CID 71333292

IUPAC3-(fluoromethyl)but-3-en-1-ol
SMILESC=C(CF)CCO
InChIInChI=1S/C5H9FO/c1-5(4-6)2-3-7/h7H,1-4H2
InChIKeyZURHFDBKAOZNNI-UHFFFAOYSA-N
MW104.12 g/mol
LogP0.89
Rot. Bonds3

About 3-(fluoromethyl)but-3-en-1-ol

3-(fluoromethyl)but-3-en-1-ol (PubChem CID 71333292) has the molecular formula C5H9FO and a molecular weight of 104.12 g/mol. Its IUPAC name is 3-(fluoromethyl)but-3-en-1-ol.

Molecular Properties

Compound Name3-(fluoromethyl)but-3-en-1-ol
PubChem CID71333292
Molecular FormulaC5H9FO
Molecular Weight104.12 g/mol
Exact Mass104.06
IUPAC Name3-(fluoromethyl)but-3-en-1-ol
SMILESC=C(CF)CCO
InChIInChI=1S/C5H9FO/c1-5(4-6)2-3-7/h7H,1-4H2
InChIKeyZURHFDBKAOZNNI-UHFFFAOYSA-N
XLogP0.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.12
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 130128533
CID 178324358
CID 178324358
CID 54461776
CID 54461776
CID 141111870
CID 141111870
CID 143772641
CID 143772641
CID 146296987
CID 146296987
CID 163574037
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CID 163904818
CID 163904818

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)but-3-en-1-ol?
The IUPAC name of 3-(fluoromethyl)but-3-en-1-ol (CID 71333292) is 3-(fluoromethyl)but-3-en-1-ol.
What is the SMILES notation for 3-(fluoromethyl)but-3-en-1-ol?
The canonical SMILES for 3-(fluoromethyl)but-3-en-1-ol is C=C(CF)CCO.
What is the InChIKey of 3-(fluoromethyl)but-3-en-1-ol?
The InChIKey is ZURHFDBKAOZNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO/c1-5(4-6)2-3-7/h7H,1-4H2.
What are the key properties of 3-(fluoromethyl)but-3-en-1-ol?
3-(fluoromethyl)but-3-en-1-ol has a molecular weight of 104.12 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)but-3-en-1-ol is sourced from PubChem (CID 71333292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).