2,6-difluorooctadecane

C18H36F2 — CID 174393944

IUPAC2,6-difluorooctadecane
SMILESCCCCCCCCCCCCC(F)CCCC(C)F
InChIInChI=1S/C18H36F2/c1-3-4-5-6-7-8-9-10-11-12-15-18(20)16-13-14-17(2)19/h17-18H,3-16H2,1-2H3
InChIKeyUMISLCZJGOPCFA-UHFFFAOYSA-N
MW290.48 g/mol
LogP7.16
Rot. Bonds15

About 2,6-difluorooctadecane

2,6-difluorooctadecane (PubChem CID 174393944) has the molecular formula C18H36F2 and a molecular weight of 290.48 g/mol. Its IUPAC name is 2,6-difluorooctadecane.

Molecular Properties

Compound Name2,6-difluorooctadecane
PubChem CID174393944
Molecular FormulaC18H36F2
Molecular Weight290.48 g/mol
Exact Mass290.28
IUPAC Name2,6-difluorooctadecane
SMILESCCCCCCCCCCCCC(F)CCCC(C)F
InChIInChI=1S/C18H36F2/c1-3-4-5-6-7-8-9-10-11-12-15-18(20)16-13-14-17(2)19/h17-18H,3-16H2,1-2H3
InChIKeyUMISLCZJGOPCFA-UHFFFAOYSA-N
XLogP7.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.48
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-fluorohenicosane
CID 91354486
(4R)-4-fluorodecane
CID 88903478
4-fluorononane
CID 15062450
(5S)-5-fluorotetradecan-1-ol
CID 139697947
1-bromo-10-fluorononacosane
CID 150013801
21-fluorotriacontan-11-ol
CID 173436816
5-fluorononane
CID 14113820
9-fluoro-1-(9-fluoropentacosoxy)pentacosane
CID 175553006
2-methyl-3-propan-2-yltetradecane
CID 154298453
2-fluorotridecan-1-ol
CID 54139332
2-fluoroundecan-1-ol
CID 15918974
(2R)-2-fluorodecan-1-ol
CID 54309655

Frequently Asked Questions

What is the IUPAC name of 2,6-difluorooctadecane?
The IUPAC name of 2,6-difluorooctadecane (CID 174393944) is 2,6-difluorooctadecane.
What is the SMILES notation for 2,6-difluorooctadecane?
The canonical SMILES for 2,6-difluorooctadecane is CCCCCCCCCCCCC(F)CCCC(C)F.
What is the InChIKey of 2,6-difluorooctadecane?
The InChIKey is UMISLCZJGOPCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36F2/c1-3-4-5-6-7-8-9-10-11-12-15-18(20)16-13-14-17(2)19/h17-18H,3-16H2,1-2H3.
What are the key properties of 2,6-difluorooctadecane?
2,6-difluorooctadecane has a molecular weight of 290.48 g/mol, XLogP of 7.16, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluorooctadecane is sourced from PubChem (CID 174393944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).