1-fluoro-5-methylidenecyclononane

C10H17F — CID 167066171

IUPAC1-fluoro-5-methylidenecyclononane
SMILESC=C1CCCCC(F)CCC1
InChIInChI=1S/C10H17F/c1-9-5-2-3-7-10(11)8-4-6-9/h10H,1-8H2
InChIKeyHOHVVPQYYNOHCD-UHFFFAOYSA-N
MW156.24 g/mol
LogP3.62
Rot. Bonds

About 1-fluoro-5-methylidenecyclononane

1-fluoro-5-methylidenecyclononane (PubChem CID 167066171) has the molecular formula C10H17F and a molecular weight of 156.24 g/mol. Its IUPAC name is 1-fluoro-5-methylidenecyclononane.

Molecular Properties

Compound Name1-fluoro-5-methylidenecyclononane
PubChem CID167066171
Molecular FormulaC10H17F
Molecular Weight156.24 g/mol
Exact Mass156.13
IUPAC Name1-fluoro-5-methylidenecyclononane
SMILESC=C1CCCCC(F)CCC1
InChIInChI=1S/C10H17F/c1-9-5-2-3-7-10(11)8-4-6-9/h10H,1-8H2
InChIKeyHOHVVPQYYNOHCD-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.24
LogP ≤ 53.62
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 1-fluoro-5-methylidenecyclononane?
The IUPAC name of 1-fluoro-5-methylidenecyclononane (CID 167066171) is 1-fluoro-5-methylidenecyclononane.
What is the SMILES notation for 1-fluoro-5-methylidenecyclononane?
The canonical SMILES for 1-fluoro-5-methylidenecyclononane is C=C1CCCCC(F)CCC1.
What is the InChIKey of 1-fluoro-5-methylidenecyclononane?
The InChIKey is HOHVVPQYYNOHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F/c1-9-5-2-3-7-10(11)8-4-6-9/h10H,1-8H2.
What are the key properties of 1-fluoro-5-methylidenecyclononane?
1-fluoro-5-methylidenecyclononane has a molecular weight of 156.24 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-methylidenecyclononane is sourced from PubChem (CID 167066171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).