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

C24H43FO2 — CID 70427106

IUPAC14-fluoro-3,11-dipentoxydispiro[5.1.58.16]tetradecane
SMILESCCCCCOC1CCC2(CC1)CC1(CCC(OCCCCC)CC1)C2F
InChIInChI=1S/C24H43FO2/c1-3-5-7-17-26-20-9-13-23(14-10-20)19-24(22(23)25)15-11-21(12-16-24)27-18-8-6-4-2/h20-22H,3-19H2,1-2H3
InChIKeyIFYPHJGOBOWBJP-UHFFFAOYSA-N
MW382.60 g/mol
LogP7.00
Rot. Bonds10

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

14-fluoro-3,11-dipentoxydispiro[5.1.58.16]tetradecane (PubChem CID 70427106) has the molecular formula C24H43FO2 and a molecular weight of 382.60 g/mol. Its IUPAC name is 14-fluoro-3,11-dipentoxydispiro[5.1.58.16]tetradecane.

Molecular Properties

Compound Name14-fluoro-3,11-dipentoxydispiro[5.1.58.16]tetradecane
PubChem CID70427106
Molecular FormulaC24H43FO2
Molecular Weight382.60 g/mol
Exact Mass382.32
IUPAC Name14-fluoro-3,11-dipentoxydispiro[5.1.58.16]tetradecane
SMILESCCCCCOC1CCC2(CC1)CC1(CCC(OCCCCC)CC1)C2F
InChIInChI=1S/C24H43FO2/c1-3-5-7-17-26-20-9-13-23(14-10-20)19-24(22(23)25)15-11-21(12-16-24)27-18-8-6-4-2/h20-22H,3-19H2,1-2H3
InChIKeyIFYPHJGOBOWBJP-UHFFFAOYSA-N
XLogP7.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.60
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,11-didecoxy-7-fluorodispiro[5.1.58.16]tetradecan-14-one
CID 18633579
7-fluoro-3,11-dihexoxydispiro[5.1.58.16]tetradecan-14-one
CID 18633609
heptoxycyclopropane
CID 54099544
14,14-dichloro-3,11-diheptoxydispiro[5.1.58.16]tetradecane;14,14-dichloro-3,11-dioctoxydispiro[5.1.58.16]tetradecane
CID 88656869
1-ethoxy-4-hexoxycyclohexane
CID 147022477
octoxycyclopentane
CID 14691467
pentadecoxycyclopentane
CID 155570194
4-pentoxypiperidine
CID 43167830
7-fluoro-3,11-bis(4-hexoxycyclohexyl)dispiro[5.1.58.16]tetradecan-14-one
CID 18633515
7-fluoro-3,11-bis(4-pentoxycyclohexyl)dispiro[5.1.58.16]tetradecan-14-one
CID 18633553
14,14-dichloro-3,11-diheptoxydispiro[5.1.58.16]tetradecan-7-one
CID 18633597
1-ethyl-4-hexoxycyclohexane
CID 142019346

Frequently Asked Questions

What is the IUPAC name of 14-fluoro-3,11-dipentoxydispiro[5.1.58.16]tetradecane?
The IUPAC name of 14-fluoro-3,11-dipentoxydispiro[5.1.58.16]tetradecane (CID 70427106) is 14-fluoro-3,11-dipentoxydispiro[5.1.58.16]tetradecane.
What is the SMILES notation for 14-fluoro-3,11-dipentoxydispiro[5.1.58.16]tetradecane?
The canonical SMILES for 14-fluoro-3,11-dipentoxydispiro[5.1.58.16]tetradecane is CCCCCOC1CCC2(CC1)CC1(CCC(OCCCCC)CC1)C2F.
What is the InChIKey of 14-fluoro-3,11-dipentoxydispiro[5.1.58.16]tetradecane?
The InChIKey is IFYPHJGOBOWBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43FO2/c1-3-5-7-17-26-20-9-13-23(14-10-20)19-24(22(23)25)15-11-21(12-16-24)27-18-8-6-4-2/h20-22H,3-19H2,1-2H3.
What are the key properties of 14-fluoro-3,11-dipentoxydispiro[5.1.58.16]tetradecane?
14-fluoro-3,11-dipentoxydispiro[5.1.58.16]tetradecane has a molecular weight of 382.60 g/mol, XLogP of 7.00, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-fluoro-3,11-dipentoxydispiro[5.1.58.16]tetradecane is sourced from PubChem (CID 70427106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).