(3-ethenyl-7-fluoro-6-methyloctyl)cyclopentane

C16H29F — CID 166651431

IUPAC(3-ethenyl-7-fluoro-6-methyloctyl)cyclopentane
SMILESC=CC(CCC1CCCC1)CCC(C)C(C)F
InChIInChI=1S/C16H29F/c1-4-15(10-9-13(2)14(3)17)11-12-16-7-5-6-8-16/h4,13-16H,1,5-12H2,2-3H3
InChIKeyWZJBKJQEJPPAHN-UHFFFAOYSA-N
MW240.41 g/mol
LogP5.53
Rot. Bonds8

About (3-ethenyl-7-fluoro-6-methyloctyl)cyclopentane

(3-ethenyl-7-fluoro-6-methyloctyl)cyclopentane (PubChem CID 166651431) has the molecular formula C16H29F and a molecular weight of 240.41 g/mol. Its IUPAC name is (3-ethenyl-7-fluoro-6-methyloctyl)cyclopentane.

Molecular Properties

Compound Name(3-ethenyl-7-fluoro-6-methyloctyl)cyclopentane
PubChem CID166651431
Molecular FormulaC16H29F
Molecular Weight240.41 g/mol
Exact Mass240.23
IUPAC Name(3-ethenyl-7-fluoro-6-methyloctyl)cyclopentane
SMILESC=CC(CCC1CCCC1)CCC(C)C(C)F
InChIInChI=1S/C16H29F/c1-4-15(10-9-13(2)14(3)17)11-12-16-7-5-6-8-16/h4,13-16H,1,5-12H2,2-3H3
InChIKeyWZJBKJQEJPPAHN-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.41
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (3-ethenyl-7-fluoro-6-methyloctyl)cyclopentane?
The IUPAC name of (3-ethenyl-7-fluoro-6-methyloctyl)cyclopentane (CID 166651431) is (3-ethenyl-7-fluoro-6-methyloctyl)cyclopentane.
What is the SMILES notation for (3-ethenyl-7-fluoro-6-methyloctyl)cyclopentane?
The canonical SMILES for (3-ethenyl-7-fluoro-6-methyloctyl)cyclopentane is C=CC(CCC1CCCC1)CCC(C)C(C)F.
What is the InChIKey of (3-ethenyl-7-fluoro-6-methyloctyl)cyclopentane?
The InChIKey is WZJBKJQEJPPAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F/c1-4-15(10-9-13(2)14(3)17)11-12-16-7-5-6-8-16/h4,13-16H,1,5-12H2,2-3H3.
What are the key properties of (3-ethenyl-7-fluoro-6-methyloctyl)cyclopentane?
(3-ethenyl-7-fluoro-6-methyloctyl)cyclopentane has a molecular weight of 240.41 g/mol, XLogP of 5.53, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethenyl-7-fluoro-6-methyloctyl)cyclopentane is sourced from PubChem (CID 166651431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).