14-fluoro-3,11-dimethoxydispiro[5.1.58.16]tetradecane

C16H27FO2 — CID 70426403

IUPAC14-fluoro-3,11-dimethoxydispiro[5.1.58.16]tetradecane
SMILESCOC1CCC2(CC1)CC1(CCC(OC)CC1)C2F
InChIInChI=1S/C16H27FO2/c1-18-12-3-7-15(8-4-12)11-16(14(15)17)9-5-13(19-2)6-10-16/h12-14H,3-11H2,1-2H3
InChIKeyYUEGKARWQQCOGP-UHFFFAOYSA-N
MW270.39 g/mol
LogP3.88
Rot. Bonds2

About 14-fluoro-3,11-dimethoxydispiro[5.1.58.16]tetradecane

14-fluoro-3,11-dimethoxydispiro[5.1.58.16]tetradecane (PubChem CID 70426403) has the molecular formula C16H27FO2 and a molecular weight of 270.39 g/mol. Its IUPAC name is 14-fluoro-3,11-dimethoxydispiro[5.1.58.16]tetradecane.

Molecular Properties

Compound Name14-fluoro-3,11-dimethoxydispiro[5.1.58.16]tetradecane
PubChem CID70426403
Molecular FormulaC16H27FO2
Molecular Weight270.39 g/mol
Exact Mass270.20
IUPAC Name14-fluoro-3,11-dimethoxydispiro[5.1.58.16]tetradecane
SMILESCOC1CCC2(CC1)CC1(CCC(OC)CC1)C2F
InChIInChI=1S/C16H27FO2/c1-18-12-3-7-15(8-4-12)11-16(14(15)17)9-5-13(19-2)6-10-16/h12-14H,3-11H2,1-2H3
InChIKeyYUEGKARWQQCOGP-UHFFFAOYSA-N
XLogP3.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.39
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 14-fluoro-3,11-dimethoxydispiro[5.1.58.16]tetradecane?
The IUPAC name of 14-fluoro-3,11-dimethoxydispiro[5.1.58.16]tetradecane (CID 70426403) is 14-fluoro-3,11-dimethoxydispiro[5.1.58.16]tetradecane.
What is the SMILES notation for 14-fluoro-3,11-dimethoxydispiro[5.1.58.16]tetradecane?
The canonical SMILES for 14-fluoro-3,11-dimethoxydispiro[5.1.58.16]tetradecane is COC1CCC2(CC1)CC1(CCC(OC)CC1)C2F.
What is the InChIKey of 14-fluoro-3,11-dimethoxydispiro[5.1.58.16]tetradecane?
The InChIKey is YUEGKARWQQCOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FO2/c1-18-12-3-7-15(8-4-12)11-16(14(15)17)9-5-13(19-2)6-10-16/h12-14H,3-11H2,1-2H3.
What are the key properties of 14-fluoro-3,11-dimethoxydispiro[5.1.58.16]tetradecane?
14-fluoro-3,11-dimethoxydispiro[5.1.58.16]tetradecane has a molecular weight of 270.39 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-fluoro-3,11-dimethoxydispiro[5.1.58.16]tetradecane is sourced from PubChem (CID 70426403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).