4-fluoro-1-oxaspiro[5.11]heptadecane

C16H29FO — CID 154713512

IUPAC4-fluoro-1-oxaspiro[5.11]heptadecane
SMILESFC1CCOC2(CCCCCCCCCCC2)C1
InChIInChI=1S/C16H29FO/c17-15-10-13-18-16(14-15)11-8-6-4-2-1-3-5-7-9-12-16/h15H,1-14H2
InChIKeyMNIAPDXUWDYWFB-UHFFFAOYSA-N
MW256.40 g/mol
LogP5.18
Rot. Bonds

About 4-fluoro-1-oxaspiro[5.11]heptadecane

4-fluoro-1-oxaspiro[5.11]heptadecane (PubChem CID 154713512) has the molecular formula C16H29FO and a molecular weight of 256.40 g/mol. Its IUPAC name is 4-fluoro-1-oxaspiro[5.11]heptadecane.

Molecular Properties

Compound Name4-fluoro-1-oxaspiro[5.11]heptadecane
PubChem CID154713512
Molecular FormulaC16H29FO
Molecular Weight256.40 g/mol
Exact Mass256.22
IUPAC Name4-fluoro-1-oxaspiro[5.11]heptadecane
SMILESFC1CCOC2(CCCCCCCCCCC2)C1
InChIInChI=1S/C16H29FO/c17-15-10-13-18-16(14-15)11-8-6-4-2-1-3-5-7-9-12-16/h15H,1-14H2
InChIKeyMNIAPDXUWDYWFB-UHFFFAOYSA-N
XLogP5.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.40
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-oxaspiro[5.11]heptadecane?
The IUPAC name of 4-fluoro-1-oxaspiro[5.11]heptadecane (CID 154713512) is 4-fluoro-1-oxaspiro[5.11]heptadecane.
What is the SMILES notation for 4-fluoro-1-oxaspiro[5.11]heptadecane?
The canonical SMILES for 4-fluoro-1-oxaspiro[5.11]heptadecane is FC1CCOC2(CCCCCCCCCCC2)C1.
What is the InChIKey of 4-fluoro-1-oxaspiro[5.11]heptadecane?
The InChIKey is MNIAPDXUWDYWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29FO/c17-15-10-13-18-16(14-15)11-8-6-4-2-1-3-5-7-9-12-16/h15H,1-14H2.
What are the key properties of 4-fluoro-1-oxaspiro[5.11]heptadecane?
4-fluoro-1-oxaspiro[5.11]heptadecane has a molecular weight of 256.40 g/mol, XLogP of 5.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-oxaspiro[5.11]heptadecane is sourced from PubChem (CID 154713512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).