5-fluoro-5-methylspiro[2.3]hexane

C7H11F — CID 118342947

IUPAC5-fluoro-5-methylspiro[2.3]hexane
SMILESCC1(F)CC2(CC2)C1
InChIInChI=1S/C7H11F/c1-6(8)4-7(5-6)2-3-7/h2-5H2,1H3
InChIKeyORIHYDJHCLXMJZ-UHFFFAOYSA-N
MW114.16 g/mol
LogP2.29
Rot. Bonds

About 5-fluoro-5-methylspiro[2.3]hexane

5-fluoro-5-methylspiro[2.3]hexane (PubChem CID 118342947) has the molecular formula C7H11F and a molecular weight of 114.16 g/mol. Its IUPAC name is 5-fluoro-5-methylspiro[2.3]hexane.

Molecular Properties

Compound Name5-fluoro-5-methylspiro[2.3]hexane
PubChem CID118342947
Molecular FormulaC7H11F
Molecular Weight114.16 g/mol
Exact Mass114.08
IUPAC Name5-fluoro-5-methylspiro[2.3]hexane
SMILESCC1(F)CC2(CC2)C1
InChIInChI=1S/C7H11F/c1-6(8)4-7(5-6)2-3-7/h2-5H2,1H3
InChIKeyORIHYDJHCLXMJZ-UHFFFAOYSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.16
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-5-methylspiro[2.3]hexane?
The IUPAC name of 5-fluoro-5-methylspiro[2.3]hexane (CID 118342947) is 5-fluoro-5-methylspiro[2.3]hexane.
What is the SMILES notation for 5-fluoro-5-methylspiro[2.3]hexane?
The canonical SMILES for 5-fluoro-5-methylspiro[2.3]hexane is CC1(F)CC2(CC2)C1.
What is the InChIKey of 5-fluoro-5-methylspiro[2.3]hexane?
The InChIKey is ORIHYDJHCLXMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F/c1-6(8)4-7(5-6)2-3-7/h2-5H2,1H3.
What are the key properties of 5-fluoro-5-methylspiro[2.3]hexane?
5-fluoro-5-methylspiro[2.3]hexane has a molecular weight of 114.16 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-5-methylspiro[2.3]hexane is sourced from PubChem (CID 118342947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).