5-(4-ethenyl-3,4-difluoro-8-hydroxyoct-1-en-3-yl)bicyclo[2.2.1]heptan-2-ol

C17H26F2O2 — CID 147498799

IUPAC5-(4-ethenyl-3,4-difluoro-8-hydroxyoct-1-en-3-yl)bicyclo[2.2.1]heptan-2-ol
SMILESC=CC(F)(CCCCO)C(F)(C=C)C1CC2CC1CC2O
InChIInChI=1S/C17H26F2O2/c1-3-16(18,7-5-6-8-20)17(19,4-2)14-10-13-9-12(14)11-15(13)21/h3-4,12-15,20-21H,1-2,5-11H2
InChIKeyFGZXJIJNFQAXSH-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.34
Rot. Bonds8

About 5-(4-ethenyl-3,4-difluoro-8-hydroxyoct-1-en-3-yl)bicyclo[2.2.1]heptan-2-ol

5-(4-ethenyl-3,4-difluoro-8-hydroxyoct-1-en-3-yl)bicyclo[2.2.1]heptan-2-ol (PubChem CID 147498799) has the molecular formula C17H26F2O2 and a molecular weight of 300.39 g/mol. Its IUPAC name is 5-(4-ethenyl-3,4-difluoro-8-hydroxyoct-1-en-3-yl)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name5-(4-ethenyl-3,4-difluoro-8-hydroxyoct-1-en-3-yl)bicyclo[2.2.1]heptan-2-ol
PubChem CID147498799
Molecular FormulaC17H26F2O2
Molecular Weight300.39 g/mol
Exact Mass300.19
IUPAC Name5-(4-ethenyl-3,4-difluoro-8-hydroxyoct-1-en-3-yl)bicyclo[2.2.1]heptan-2-ol
SMILESC=CC(F)(CCCCO)C(F)(C=C)C1CC2CC1CC2O
InChIInChI=1S/C17H26F2O2/c1-3-16(18,7-5-6-8-20)17(19,4-2)14-10-13-9-12(14)11-15(13)21/h3-4,12-15,20-21H,1-2,5-11H2
InChIKeyFGZXJIJNFQAXSH-UHFFFAOYSA-N
XLogP3.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(4-ethenyl-3,4-difluoro-8-hydroxyoct-1-en-3-yl)bicyclo[2.2.1]heptan-2-ol with MolForge

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Related Compounds

2-(4-Ethyl-3,4-difluoro-5-methylhex-1-en-3-yl)-5-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane
CID 90847376
3,4-Difluoro-4-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)hexa-1,5-diene-3-sulfonic acid
CID 91012399
6-Ethenylbicyclo[2.2.1]heptan-2-ol
CID 12476615
(1S,2R,4S,6R)-6-ethenylbicyclo[2.2.1]heptan-2-ol
CID 21675232
5-Ethenylbicyclo[2.2.1]heptan-2-ol
CID 12476612
5-Prop-2-enylbicyclo[2.2.1]heptan-2-ol
CID 12625664
5-But-3-enylbicyclo[2.2.1]heptan-2-ol
CID 68254654
6,6-Dimethyl-5-pent-4-en-2-ylbicyclo[2.2.1]heptan-2-ol
CID 70605630
(1S,2R,3R,4R)-3-pent-4-enylbicyclo[2.2.1]heptan-2-ol
CID 89929609
(1R,2S,3S,4S)-3-pent-4-enylbicyclo[2.2.1]heptan-2-ol
CID 90445685
3-Cycloprop-2-en-1-ylbicyclo[2.2.1]heptan-2-ol
CID 123397455
3-Pent-4-enylbicyclo[2.2.1]heptan-2-ol
CID 123558126

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethenyl-3,4-difluoro-8-hydroxyoct-1-en-3-yl)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 5-(4-ethenyl-3,4-difluoro-8-hydroxyoct-1-en-3-yl)bicyclo[2.2.1]heptan-2-ol (CID 147498799) is 5-(4-ethenyl-3,4-difluoro-8-hydroxyoct-1-en-3-yl)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 5-(4-ethenyl-3,4-difluoro-8-hydroxyoct-1-en-3-yl)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 5-(4-ethenyl-3,4-difluoro-8-hydroxyoct-1-en-3-yl)bicyclo[2.2.1]heptan-2-ol is C=CC(F)(CCCCO)C(F)(C=C)C1CC2CC1CC2O.
What is the InChIKey of 5-(4-ethenyl-3,4-difluoro-8-hydroxyoct-1-en-3-yl)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is FGZXJIJNFQAXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2O2/c1-3-16(18,7-5-6-8-20)17(19,4-2)14-10-13-9-12(14)11-15(13)21/h3-4,12-15,20-21H,1-2,5-11H2.
What are the key properties of 5-(4-ethenyl-3,4-difluoro-8-hydroxyoct-1-en-3-yl)bicyclo[2.2.1]heptan-2-ol?
5-(4-ethenyl-3,4-difluoro-8-hydroxyoct-1-en-3-yl)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 300.39 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethenyl-3,4-difluoro-8-hydroxyoct-1-en-3-yl)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 147498799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).