7-(2-fluoro-4-methylcyclobuta-1,3-dien-1-yl)hepta-4,6-diyn-1-ol

C12H11FO — CID 134394940

IUPAC7-(2-fluoro-4-methylcyclobuta-1,3-dien-1-yl)hepta-4,6-diyn-1-ol
SMILESCC1=CC(F)=C1C#CC#CCCCO
InChIInChI=1S/C12H11FO/c1-10-9-12(13)11(10)7-5-3-2-4-6-8-14/h9,14H,4,6,8H2,1H3
InChIKeyMAPZSKOJNCBMMZ-UHFFFAOYSA-N
MW190.22 g/mol
LogP1.95
Rot. Bonds2

About 7-(2-fluoro-4-methylcyclobuta-1,3-dien-1-yl)hepta-4,6-diyn-1-ol

7-(2-fluoro-4-methylcyclobuta-1,3-dien-1-yl)hepta-4,6-diyn-1-ol (PubChem CID 134394940) has the molecular formula C12H11FO and a molecular weight of 190.22 g/mol. Its IUPAC name is 7-(2-fluoro-4-methylcyclobuta-1,3-dien-1-yl)hepta-4,6-diyn-1-ol.

Molecular Properties

Compound Name7-(2-fluoro-4-methylcyclobuta-1,3-dien-1-yl)hepta-4,6-diyn-1-ol
PubChem CID134394940
Molecular FormulaC12H11FO
Molecular Weight190.22 g/mol
Exact Mass190.08
IUPAC Name7-(2-fluoro-4-methylcyclobuta-1,3-dien-1-yl)hepta-4,6-diyn-1-ol
SMILESCC1=CC(F)=C1C#CC#CCCCO
InChIInChI=1S/C12H11FO/c1-10-9-12(13)11(10)7-5-3-2-4-6-8-14/h9,14H,4,6,8H2,1H3
InChIKeyMAPZSKOJNCBMMZ-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-4-methylcyclobuta-1,3-dien-1-yl)hepta-4,6-diyn-1-ol?
The IUPAC name of 7-(2-fluoro-4-methylcyclobuta-1,3-dien-1-yl)hepta-4,6-diyn-1-ol (CID 134394940) is 7-(2-fluoro-4-methylcyclobuta-1,3-dien-1-yl)hepta-4,6-diyn-1-ol.
What is the SMILES notation for 7-(2-fluoro-4-methylcyclobuta-1,3-dien-1-yl)hepta-4,6-diyn-1-ol?
The canonical SMILES for 7-(2-fluoro-4-methylcyclobuta-1,3-dien-1-yl)hepta-4,6-diyn-1-ol is CC1=CC(F)=C1C#CC#CCCCO.
What is the InChIKey of 7-(2-fluoro-4-methylcyclobuta-1,3-dien-1-yl)hepta-4,6-diyn-1-ol?
The InChIKey is MAPZSKOJNCBMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO/c1-10-9-12(13)11(10)7-5-3-2-4-6-8-14/h9,14H,4,6,8H2,1H3.
What are the key properties of 7-(2-fluoro-4-methylcyclobuta-1,3-dien-1-yl)hepta-4,6-diyn-1-ol?
7-(2-fluoro-4-methylcyclobuta-1,3-dien-1-yl)hepta-4,6-diyn-1-ol has a molecular weight of 190.22 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-4-methylcyclobuta-1,3-dien-1-yl)hepta-4,6-diyn-1-ol is sourced from PubChem (CID 134394940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).