4-fluoro-1-oxaspiro[5.11]heptadecane

Name: 4-fluoro-1-oxaspiro[5.11]heptadecane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₂₉FO — CID 154713512

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	4-fluoro-1-oxaspiro[5.11]heptadecane
PubChem CID	154713512
Molecular Formula	C₁₆H₂₉FO
Molecular Weight	256.40 g/mol
Exact Mass	256.22
IUPAC Name	4-fluoro-1-oxaspiro[5.11]heptadecane
SMILES	FC1CCOC2(CCCCCCCCCCC2)C1
InChI	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
InChIKey	MNIAPDXUWDYWFB-UHFFFAOYSA-N
XLogP	5.18
TPSA	9.23 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	256.40
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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).

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Sources

PubChem CID 154713512 — identifiers, structure, computed properties (public domain)

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