14-(8-fluorooctoxy)-14-methylheptacosane

C36H73FO — CID 139714708

IUPAC14-(8-fluorooctoxy)-14-methylheptacosane
SMILESCCCCCCCCCCCCCC(C)(CCCCCCCCCCCCC)OCCCCCCCCF
InChIInChI=1S/C36H73FO/c1-4-6-8-10-12-14-16-18-20-24-28-32-36(3,38-35-31-27-23-22-26-30-34-37)33-29-25-21-19-17-15-13-11-9-7-5-2/h4-35H2,1-3H3
InChIKeyWFOUGJOPINOXDM-UHFFFAOYSA-N
MW540.98 g/mol
LogP13.47
Rot. Bonds33

About 14-(8-fluorooctoxy)-14-methylheptacosane

14-(8-fluorooctoxy)-14-methylheptacosane (PubChem CID 139714708) has the molecular formula C36H73FO and a molecular weight of 540.98 g/mol. Its IUPAC name is 14-(8-fluorooctoxy)-14-methylheptacosane.

Molecular Properties

Compound Name14-(8-fluorooctoxy)-14-methylheptacosane
PubChem CID139714708
Molecular FormulaC36H73FO
Molecular Weight540.98 g/mol
Exact Mass540.56
IUPAC Name14-(8-fluorooctoxy)-14-methylheptacosane
SMILESCCCCCCCCCCCCCC(C)(CCCCCCCCCCCCC)OCCCCCCCCF
InChIInChI=1S/C36H73FO/c1-4-6-8-10-12-14-16-18-20-24-28-32-36(3,38-35-31-27-23-22-26-30-34-37)33-29-25-21-19-17-15-13-11-9-7-5-2/h4-35H2,1-3H3
InChIKeyWFOUGJOPINOXDM-UHFFFAOYSA-N
XLogP13.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds33
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.98
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Fluoro-1-oxaspiro[5.11]heptadecane
CID 154713512
2-Decyltetradecyl ether
CID 22269547
Phytanyl ether
CID 22715350
Dihexylather
CID 87495150
7-{[(2-Hexyldecyl)oxy]methyl}pentadecane
CID 15032028
2-Decyl-2-octyloxirane
CID 20318216
9-(3-Fluorobutoxy)-1-(4-fluorobutoxy)-3-methylnonane
CID 54287764
7-(3,3-Dimethylpentoxy)-1,1,1,3,3-pentafluoro-2,2,4,4,7-pentamethyloctane
CID 89616834
3,5,7-Trifluoro-4-(1-fluoropropyl)-4-[3,5,7-trifluoro-4-(1-fluoropropyl)nonan-4-yl]oxynonane
CID 122615155
7-methyl-7-[(2S)-1,1,1-trifluoropropan-2-yl]oxytetradecane
CID 126580710
7-Methyl-7-(2,2,2-trifluoroethoxy)tridecane
CID 126580711
7-Methyl-7-(1,1,1-trifluoropropan-2-yloxy)tetradecane
CID 126580820

Frequently Asked Questions

What is the IUPAC name of 14-(8-fluorooctoxy)-14-methylheptacosane?
The IUPAC name of 14-(8-fluorooctoxy)-14-methylheptacosane (CID 139714708) is 14-(8-fluorooctoxy)-14-methylheptacosane.
What is the SMILES notation for 14-(8-fluorooctoxy)-14-methylheptacosane?
The canonical SMILES for 14-(8-fluorooctoxy)-14-methylheptacosane is CCCCCCCCCCCCCC(C)(CCCCCCCCCCCCC)OCCCCCCCCF.
What is the InChIKey of 14-(8-fluorooctoxy)-14-methylheptacosane?
The InChIKey is WFOUGJOPINOXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H73FO/c1-4-6-8-10-12-14-16-18-20-24-28-32-36(3,38-35-31-27-23-22-26-30-34-37)33-29-25-21-19-17-15-13-11-9-7-5-2/h4-35H2,1-3H3.
What are the key properties of 14-(8-fluorooctoxy)-14-methylheptacosane?
14-(8-fluorooctoxy)-14-methylheptacosane has a molecular weight of 540.98 g/mol, XLogP of 13.47, 33 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(8-fluorooctoxy)-14-methylheptacosane is sourced from PubChem (CID 139714708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).