4-fluoro-3,4-dimethyltricyclo[4.2.1.02,5]non-7-en-3-ol

C11H15FO — CID 91328943

IUPAC4-fluoro-3,4-dimethyltricyclo[4.2.1.02,5]non-7-en-3-ol
SMILESCC1(O)C2C3C=CC(C3)C2C1(C)F
InChIInChI=1S/C11H15FO/c1-10(12)8-6-3-4-7(5-6)9(8)11(10,2)13/h3-4,6-9,13H,5H2,1-2H3
InChIKeyLMAUMQFSXNQGCF-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.92
Rot. Bonds

About 4-fluoro-3,4-dimethyltricyclo[4.2.1.02,5]non-7-en-3-ol

4-fluoro-3,4-dimethyltricyclo[4.2.1.02,5]non-7-en-3-ol (PubChem CID 91328943) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is 4-fluoro-3,4-dimethyltricyclo[4.2.1.02,5]non-7-en-3-ol.

Molecular Properties

Compound Name4-fluoro-3,4-dimethyltricyclo[4.2.1.02,5]non-7-en-3-ol
PubChem CID91328943
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name4-fluoro-3,4-dimethyltricyclo[4.2.1.02,5]non-7-en-3-ol
SMILESCC1(O)C2C3C=CC(C3)C2C1(C)F
InChIInChI=1S/C11H15FO/c1-10(12)8-6-3-4-7(5-6)9(8)11(10,2)13/h3-4,6-9,13H,5H2,1-2H3
InChIKeyLMAUMQFSXNQGCF-UHFFFAOYSA-N
XLogP1.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.92
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 4-fluoro-3,4-dimethyltricyclo[4.2.1.02,5]non-7-en-3-ol?
The IUPAC name of 4-fluoro-3,4-dimethyltricyclo[4.2.1.02,5]non-7-en-3-ol (CID 91328943) is 4-fluoro-3,4-dimethyltricyclo[4.2.1.02,5]non-7-en-3-ol.
What is the SMILES notation for 4-fluoro-3,4-dimethyltricyclo[4.2.1.02,5]non-7-en-3-ol?
The canonical SMILES for 4-fluoro-3,4-dimethyltricyclo[4.2.1.02,5]non-7-en-3-ol is CC1(O)C2C3C=CC(C3)C2C1(C)F.
What is the InChIKey of 4-fluoro-3,4-dimethyltricyclo[4.2.1.02,5]non-7-en-3-ol?
The InChIKey is LMAUMQFSXNQGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO/c1-10(12)8-6-3-4-7(5-6)9(8)11(10,2)13/h3-4,6-9,13H,5H2,1-2H3.
What are the key properties of 4-fluoro-3,4-dimethyltricyclo[4.2.1.02,5]non-7-en-3-ol?
4-fluoro-3,4-dimethyltricyclo[4.2.1.02,5]non-7-en-3-ol has a molecular weight of 182.24 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3,4-dimethyltricyclo[4.2.1.02,5]non-7-en-3-ol is sourced from PubChem (CID 91328943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).