7-fluoro-3,11-dimethyldispiro[5.1.58.16]tetradecan-14-one

C16H25FO — CID 18633624

IUPAC7-fluoro-3,11-dimethyldispiro[5.1.58.16]tetradecan-14-one
SMILESCC1CCC2(CC1)C(=O)C1(CCC(C)CC1)C2F
InChIInChI=1S/C16H25FO/c1-11-3-7-15(8-4-11)13(17)16(14(15)18)9-5-12(2)6-10-16/h11-13H,3-10H2,1-2H3
InChIKeyHJEYBPUNDDXICW-UHFFFAOYSA-N
MW252.37 g/mol
LogP4.30
Rot. Bonds

About 7-fluoro-3,11-dimethyldispiro[5.1.58.16]tetradecan-14-one

7-fluoro-3,11-dimethyldispiro[5.1.58.16]tetradecan-14-one (PubChem CID 18633624) has the molecular formula C16H25FO and a molecular weight of 252.37 g/mol. Its IUPAC name is 7-fluoro-3,11-dimethyldispiro[5.1.58.16]tetradecan-14-one.

Molecular Properties

Compound Name7-fluoro-3,11-dimethyldispiro[5.1.58.16]tetradecan-14-one
PubChem CID18633624
Molecular FormulaC16H25FO
Molecular Weight252.37 g/mol
Exact Mass252.19
IUPAC Name7-fluoro-3,11-dimethyldispiro[5.1.58.16]tetradecan-14-one
SMILESCC1CCC2(CC1)C(=O)C1(CCC(C)CC1)C2F
InChIInChI=1S/C16H25FO/c1-11-3-7-15(8-4-11)13(17)16(14(15)18)9-5-12(2)6-10-16/h11-13H,3-10H2,1-2H3
InChIKeyHJEYBPUNDDXICW-UHFFFAOYSA-N
XLogP4.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3,11-dimethyldispiro[5.1.58.16]tetradecan-14-one?
The IUPAC name of 7-fluoro-3,11-dimethyldispiro[5.1.58.16]tetradecan-14-one (CID 18633624) is 7-fluoro-3,11-dimethyldispiro[5.1.58.16]tetradecan-14-one.
What is the SMILES notation for 7-fluoro-3,11-dimethyldispiro[5.1.58.16]tetradecan-14-one?
The canonical SMILES for 7-fluoro-3,11-dimethyldispiro[5.1.58.16]tetradecan-14-one is CC1CCC2(CC1)C(=O)C1(CCC(C)CC1)C2F.
What is the InChIKey of 7-fluoro-3,11-dimethyldispiro[5.1.58.16]tetradecan-14-one?
The InChIKey is HJEYBPUNDDXICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FO/c1-11-3-7-15(8-4-11)13(17)16(14(15)18)9-5-12(2)6-10-16/h11-13H,3-10H2,1-2H3.
What are the key properties of 7-fluoro-3,11-dimethyldispiro[5.1.58.16]tetradecan-14-one?
7-fluoro-3,11-dimethyldispiro[5.1.58.16]tetradecan-14-one has a molecular weight of 252.37 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3,11-dimethyldispiro[5.1.58.16]tetradecan-14-one is sourced from PubChem (CID 18633624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).