1-fluoro-4-methylpent-4-en-2-ol

C6H11FO — CID 141111870

IUPAC1-fluoro-4-methylpent-4-en-2-ol
SMILESC=C(C)CC(O)CF
InChIInChI=1S/C6H11FO/c1-5(2)3-6(8)4-7/h6,8H,1,3-4H2,2H3
InChIKeyAMQVASRYFPZNBB-UHFFFAOYSA-N
MW118.15 g/mol
LogP1.28
Rot. Bonds3

About 1-fluoro-4-methylpent-4-en-2-ol

1-fluoro-4-methylpent-4-en-2-ol (PubChem CID 141111870) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol. Its IUPAC name is 1-fluoro-4-methylpent-4-en-2-ol.

Molecular Properties

Compound Name1-fluoro-4-methylpent-4-en-2-ol
PubChem CID141111870
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Name1-fluoro-4-methylpent-4-en-2-ol
SMILESC=C(C)CC(O)CF
InChIInChI=1S/C6H11FO/c1-5(2)3-6(8)4-7/h6,8H,1,3-4H2,2H3
InChIKeyAMQVASRYFPZNBB-UHFFFAOYSA-N
XLogP1.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 51.28
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 1-fluoro-4-methylpent-4-en-2-ol?
The IUPAC name of 1-fluoro-4-methylpent-4-en-2-ol (CID 141111870) is 1-fluoro-4-methylpent-4-en-2-ol.
What is the SMILES notation for 1-fluoro-4-methylpent-4-en-2-ol?
The canonical SMILES for 1-fluoro-4-methylpent-4-en-2-ol is C=C(C)CC(O)CF.
What is the InChIKey of 1-fluoro-4-methylpent-4-en-2-ol?
The InChIKey is AMQVASRYFPZNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO/c1-5(2)3-6(8)4-7/h6,8H,1,3-4H2,2H3.
What are the key properties of 1-fluoro-4-methylpent-4-en-2-ol?
1-fluoro-4-methylpent-4-en-2-ol has a molecular weight of 118.15 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methylpent-4-en-2-ol is sourced from PubChem (CID 141111870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).