6-(4-fluoro-2-methylphenyl)spiro[2.5]octane

C15H19F — CID 177193313

IUPAC6-(4-fluoro-2-methylphenyl)spiro[2.5]octane
SMILESCc1cc(F)ccc1C1CCC2(CC1)CC2
InChIInChI=1S/C15H19F/c1-11-10-13(16)2-3-14(11)12-4-6-15(7-5-12)8-9-15/h2-3,10,12H,4-9H2,1H3
InChIKeyMSPFNSUZYFTRJW-UHFFFAOYSA-N
MW218.31 g/mol
LogP4.57
Rot. Bonds1

About 6-(4-fluoro-2-methylphenyl)spiro[2.5]octane

6-(4-fluoro-2-methylphenyl)spiro[2.5]octane (PubChem CID 177193313) has the molecular formula C15H19F and a molecular weight of 218.31 g/mol. Its IUPAC name is 6-(4-fluoro-2-methylphenyl)spiro[2.5]octane.

Molecular Properties

Compound Name6-(4-fluoro-2-methylphenyl)spiro[2.5]octane
PubChem CID177193313
Molecular FormulaC15H19F
Molecular Weight218.31 g/mol
Exact Mass218.15
IUPAC Name6-(4-fluoro-2-methylphenyl)spiro[2.5]octane
SMILESCc1cc(F)ccc1C1CCC2(CC1)CC2
InChIInChI=1S/C15H19F/c1-11-10-13(16)2-3-14(11)12-4-6-15(7-5-12)8-9-15/h2-3,10,12H,4-9H2,1H3
InChIKeyMSPFNSUZYFTRJW-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.31
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-2-methylphenyl)spiro[2.5]octane?
The IUPAC name of 6-(4-fluoro-2-methylphenyl)spiro[2.5]octane (CID 177193313) is 6-(4-fluoro-2-methylphenyl)spiro[2.5]octane.
What is the SMILES notation for 6-(4-fluoro-2-methylphenyl)spiro[2.5]octane?
The canonical SMILES for 6-(4-fluoro-2-methylphenyl)spiro[2.5]octane is Cc1cc(F)ccc1C1CCC2(CC1)CC2.
What is the InChIKey of 6-(4-fluoro-2-methylphenyl)spiro[2.5]octane?
The InChIKey is MSPFNSUZYFTRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F/c1-11-10-13(16)2-3-14(11)12-4-6-15(7-5-12)8-9-15/h2-3,10,12H,4-9H2,1H3.
What are the key properties of 6-(4-fluoro-2-methylphenyl)spiro[2.5]octane?
6-(4-fluoro-2-methylphenyl)spiro[2.5]octane has a molecular weight of 218.31 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-2-methylphenyl)spiro[2.5]octane is sourced from PubChem (CID 177193313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).