4-fluoro-6-methylhept-4-en-1-yn-3-ol

C8H11FO — CID 54298279

IUPAC4-fluoro-6-methylhept-4-en-1-yn-3-ol
SMILESC#CC(O)C(F)=CC(C)C
InChIInChI=1S/C8H11FO/c1-4-8(10)7(9)5-6(2)3/h1,5-6,8,10H,2-3H3
InChIKeySCIAXINKNSDTSS-UHFFFAOYSA-N
MW142.17 g/mol
LogP1.49
Rot. Bonds2

About 4-fluoro-6-methylhept-4-en-1-yn-3-ol

4-fluoro-6-methylhept-4-en-1-yn-3-ol (PubChem CID 54298279) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is 4-fluoro-6-methylhept-4-en-1-yn-3-ol.

Molecular Properties

Compound Name4-fluoro-6-methylhept-4-en-1-yn-3-ol
PubChem CID54298279
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name4-fluoro-6-methylhept-4-en-1-yn-3-ol
SMILESC#CC(O)C(F)=CC(C)C
InChIInChI=1S/C8H11FO/c1-4-8(10)7(9)5-6(2)3/h1,5-6,8,10H,2-3H3
InChIKeySCIAXINKNSDTSS-UHFFFAOYSA-N
XLogP1.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methylhept-4-en-1-yn-3-ol?
The IUPAC name of 4-fluoro-6-methylhept-4-en-1-yn-3-ol (CID 54298279) is 4-fluoro-6-methylhept-4-en-1-yn-3-ol.
What is the SMILES notation for 4-fluoro-6-methylhept-4-en-1-yn-3-ol?
The canonical SMILES for 4-fluoro-6-methylhept-4-en-1-yn-3-ol is C#CC(O)C(F)=CC(C)C.
What is the InChIKey of 4-fluoro-6-methylhept-4-en-1-yn-3-ol?
The InChIKey is SCIAXINKNSDTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO/c1-4-8(10)7(9)5-6(2)3/h1,5-6,8,10H,2-3H3.
What are the key properties of 4-fluoro-6-methylhept-4-en-1-yn-3-ol?
4-fluoro-6-methylhept-4-en-1-yn-3-ol has a molecular weight of 142.17 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methylhept-4-en-1-yn-3-ol is sourced from PubChem (CID 54298279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).