1,2,3,4,5,6-hexafluoro-8-propylnaphthalene

C13H8F6 — CID 173028209

IUPAC1,2,3,4,5,6-hexafluoro-8-propylnaphthalene
SMILESCCCc1cc(F)c(F)c2c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C13H8F6/c1-2-3-5-4-6(14)9(15)8-7(5)10(16)12(18)13(19)11(8)17/h4H,2-3H2,1H3
InChIKeyXOHSLYACCWCLBD-UHFFFAOYSA-N
MW278.19 g/mol
LogP4.63
Rot. Bonds2

About 1,2,3,4,5,6-hexafluoro-8-propylnaphthalene

1,2,3,4,5,6-hexafluoro-8-propylnaphthalene (PubChem CID 173028209) has the molecular formula C13H8F6 and a molecular weight of 278.19 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexafluoro-8-propylnaphthalene.

Molecular Properties

Compound Name1,2,3,4,5,6-hexafluoro-8-propylnaphthalene
PubChem CID173028209
Molecular FormulaC13H8F6
Molecular Weight278.19 g/mol
Exact Mass278.05
IUPAC Name1,2,3,4,5,6-hexafluoro-8-propylnaphthalene
SMILESCCCc1cc(F)c(F)c2c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C13H8F6/c1-2-3-5-4-6(14)9(15)8-7(5)10(16)12(18)13(19)11(8)17/h4H,2-3H2,1H3
InChIKeyXOHSLYACCWCLBD-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1,2,4,5-tetrafluoro-3-propylbenzene
CID 12944004
2-(2,3,4,5-tetrafluorophenyl)ethanol
CID 55267980
1,2,3,5-tetrafluoro-4-propylbenzene
CID 88575988
3-chloro-4-fluoro-2-methyl-6-propylphenol
CID 154990205
2-(2,4,5-trifluoro-3-methylphenyl)ethanamine
CID 18184170
1-(3,3-difluoropropyl)-2,3,4,5-tetrafluorobenzene
CID 91063618
1-chloro-2,4,5-trifluoro-3-propylbenzene
CID 144809171
2-bromo-5-fluoro-1,3-dipropylbenzene
CID 137443449
1,2,3,4,5,6,7-heptafluoro-8-(3,4,5,6,7,8-hexafluoronaphthalen-1-yl)naphthalene
CID 71326789
4-fluoro-2,6-dipropylaniline
CID 137443416
4-ethoxy-2,3-difluoro-1-methyl-5-propylbenzene
CID 89061467
ethane;1-ethyl-5-fluoro-2-methoxy-4-propylbenzene
CID 168958922

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexafluoro-8-propylnaphthalene?
The IUPAC name of 1,2,3,4,5,6-hexafluoro-8-propylnaphthalene (CID 173028209) is 1,2,3,4,5,6-hexafluoro-8-propylnaphthalene.
What is the SMILES notation for 1,2,3,4,5,6-hexafluoro-8-propylnaphthalene?
The canonical SMILES for 1,2,3,4,5,6-hexafluoro-8-propylnaphthalene is CCCc1cc(F)c(F)c2c(F)c(F)c(F)c(F)c12.
What is the InChIKey of 1,2,3,4,5,6-hexafluoro-8-propylnaphthalene?
The InChIKey is XOHSLYACCWCLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F6/c1-2-3-5-4-6(14)9(15)8-7(5)10(16)12(18)13(19)11(8)17/h4H,2-3H2,1H3.
What are the key properties of 1,2,3,4,5,6-hexafluoro-8-propylnaphthalene?
1,2,3,4,5,6-hexafluoro-8-propylnaphthalene has a molecular weight of 278.19 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexafluoro-8-propylnaphthalene is sourced from PubChem (CID 173028209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).