4-ethenylidene-3-ethyl-8-fluorooctan-1-ol

C12H21FO — CID 174869163

IUPAC4-ethenylidene-3-ethyl-8-fluorooctan-1-ol
SMILESC=C=C(CCCCF)C(CC)CCO
InChIInChI=1S/C12H21FO/c1-3-11(7-5-6-9-13)12(4-2)8-10-14/h12,14H,1,4-10H2,2H3
InChIKeyOOOWPBQHNWRSJT-UHFFFAOYSA-N
MW200.30 g/mol
LogP3.25
Rot. Bonds8

About 4-ethenylidene-3-ethyl-8-fluorooctan-1-ol

4-ethenylidene-3-ethyl-8-fluorooctan-1-ol (PubChem CID 174869163) has the molecular formula C12H21FO and a molecular weight of 200.30 g/mol. Its IUPAC name is 4-ethenylidene-3-ethyl-8-fluorooctan-1-ol.

Molecular Properties

Compound Name4-ethenylidene-3-ethyl-8-fluorooctan-1-ol
PubChem CID174869163
Molecular FormulaC12H21FO
Molecular Weight200.30 g/mol
Exact Mass200.16
IUPAC Name4-ethenylidene-3-ethyl-8-fluorooctan-1-ol
SMILESC=C=C(CCCCF)C(CC)CCO
InChIInChI=1S/C12H21FO/c1-3-11(7-5-6-9-13)12(4-2)8-10-14/h12,14H,1,4-10H2,2H3
InChIKeyOOOWPBQHNWRSJT-UHFFFAOYSA-N
XLogP3.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenylidene-3-ethyl-8-fluorooctan-1-ol?
The IUPAC name of 4-ethenylidene-3-ethyl-8-fluorooctan-1-ol (CID 174869163) is 4-ethenylidene-3-ethyl-8-fluorooctan-1-ol.
What is the SMILES notation for 4-ethenylidene-3-ethyl-8-fluorooctan-1-ol?
The canonical SMILES for 4-ethenylidene-3-ethyl-8-fluorooctan-1-ol is C=C=C(CCCCF)C(CC)CCO.
What is the InChIKey of 4-ethenylidene-3-ethyl-8-fluorooctan-1-ol?
The InChIKey is OOOWPBQHNWRSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FO/c1-3-11(7-5-6-9-13)12(4-2)8-10-14/h12,14H,1,4-10H2,2H3.
What are the key properties of 4-ethenylidene-3-ethyl-8-fluorooctan-1-ol?
4-ethenylidene-3-ethyl-8-fluorooctan-1-ol has a molecular weight of 200.30 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylidene-3-ethyl-8-fluorooctan-1-ol is sourced from PubChem (CID 174869163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).