6-fluoro-8-methylspiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one

C15H17FO — CID 165483161

IUPAC6-fluoro-8-methylspiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one
SMILESCc1cc(F)cc2c1C(=O)CCC21CCCC1
InChIInChI=1S/C15H17FO/c1-10-8-11(16)9-12-14(10)13(17)4-7-15(12)5-2-3-6-15/h8-9H,2-7H2,1H3
InChIKeyDVZWXZAGSJMJJW-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.92
Rot. Bonds

About 6-fluoro-8-methylspiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one

6-fluoro-8-methylspiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one (PubChem CID 165483161) has the molecular formula C15H17FO and a molecular weight of 232.30 g/mol. Its IUPAC name is 6-fluoro-8-methylspiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one.

Molecular Properties

Compound Name6-fluoro-8-methylspiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one
PubChem CID165483161
Molecular FormulaC15H17FO
Molecular Weight232.30 g/mol
Exact Mass232.13
IUPAC Name6-fluoro-8-methylspiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one
SMILESCc1cc(F)cc2c1C(=O)CCC21CCCC1
InChIInChI=1S/C15H17FO/c1-10-8-11(16)9-12-14(10)13(17)4-7-15(12)5-2-3-6-15/h8-9H,2-7H2,1H3
InChIKeyDVZWXZAGSJMJJW-UHFFFAOYSA-N
XLogP3.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methylspiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one?
The IUPAC name of 6-fluoro-8-methylspiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one (CID 165483161) is 6-fluoro-8-methylspiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one.
What is the SMILES notation for 6-fluoro-8-methylspiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one?
The canonical SMILES for 6-fluoro-8-methylspiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one is Cc1cc(F)cc2c1C(=O)CCC21CCCC1.
What is the InChIKey of 6-fluoro-8-methylspiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one?
The InChIKey is DVZWXZAGSJMJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO/c1-10-8-11(16)9-12-14(10)13(17)4-7-15(12)5-2-3-6-15/h8-9H,2-7H2,1H3.
What are the key properties of 6-fluoro-8-methylspiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one?
6-fluoro-8-methylspiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one has a molecular weight of 232.30 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-methylspiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one is sourced from PubChem (CID 165483161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).