3,11-diethoxy-14-fluorodispiro[5.1.58.16]tetradecane

C18H31FO2 — CID 70427075

IUPAC3,11-diethoxy-14-fluorodispiro[5.1.58.16]tetradecane
SMILESCCOC1CCC2(CC1)CC1(CCC(OCC)CC1)C2F
InChIInChI=1S/C18H31FO2/c1-3-20-14-5-9-17(10-6-14)13-18(16(17)19)11-7-15(8-12-18)21-4-2/h14-16H,3-13H2,1-2H3
InChIKeyKKLPXNNZNSKDHB-UHFFFAOYSA-N
MW298.44 g/mol
LogP4.66
Rot. Bonds4

About 3,11-diethoxy-14-fluorodispiro[5.1.58.16]tetradecane

3,11-diethoxy-14-fluorodispiro[5.1.58.16]tetradecane (PubChem CID 70427075) has the molecular formula C18H31FO2 and a molecular weight of 298.44 g/mol. Its IUPAC name is 3,11-diethoxy-14-fluorodispiro[5.1.58.16]tetradecane.

Molecular Properties

Compound Name3,11-diethoxy-14-fluorodispiro[5.1.58.16]tetradecane
PubChem CID70427075
Molecular FormulaC18H31FO2
Molecular Weight298.44 g/mol
Exact Mass298.23
IUPAC Name3,11-diethoxy-14-fluorodispiro[5.1.58.16]tetradecane
SMILESCCOC1CCC2(CC1)CC1(CCC(OCC)CC1)C2F
InChIInChI=1S/C18H31FO2/c1-3-20-14-5-9-17(10-6-14)13-18(16(17)19)11-7-15(8-12-18)21-4-2/h14-16H,3-13H2,1-2H3
InChIKeyKKLPXNNZNSKDHB-UHFFFAOYSA-N
XLogP4.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.44
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,11-diethoxy-14-fluorodispiro[5.1.58.16]tetradecane?
The IUPAC name of 3,11-diethoxy-14-fluorodispiro[5.1.58.16]tetradecane (CID 70427075) is 3,11-diethoxy-14-fluorodispiro[5.1.58.16]tetradecane.
What is the SMILES notation for 3,11-diethoxy-14-fluorodispiro[5.1.58.16]tetradecane?
The canonical SMILES for 3,11-diethoxy-14-fluorodispiro[5.1.58.16]tetradecane is CCOC1CCC2(CC1)CC1(CCC(OCC)CC1)C2F.
What is the InChIKey of 3,11-diethoxy-14-fluorodispiro[5.1.58.16]tetradecane?
The InChIKey is KKLPXNNZNSKDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FO2/c1-3-20-14-5-9-17(10-6-14)13-18(16(17)19)11-7-15(8-12-18)21-4-2/h14-16H,3-13H2,1-2H3.
What are the key properties of 3,11-diethoxy-14-fluorodispiro[5.1.58.16]tetradecane?
3,11-diethoxy-14-fluorodispiro[5.1.58.16]tetradecane has a molecular weight of 298.44 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11-diethoxy-14-fluorodispiro[5.1.58.16]tetradecane is sourced from PubChem (CID 70427075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).