2-methylheptane;1,2,3,4,5,6,7,8-octafluoronaphthalene

C18H18F8 — CID 174662628

IUPAC2-methylheptane;1,2,3,4,5,6,7,8-octafluoronaphthalene
SMILESCCCCCC(C)C.Fc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F
InChIInChI=1S/C10F8.C8H18/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12;1-4-5-6-7-8(2)3/h;8H,4-7H2,1-3H3
InChIKeyWUJJJHRSRQEHJQ-UHFFFAOYSA-N
MW386.33 g/mol
LogP7.18
Rot. Bonds4

About 2-methylheptane;1,2,3,4,5,6,7,8-octafluoronaphthalene

2-methylheptane;1,2,3,4,5,6,7,8-octafluoronaphthalene (PubChem CID 174662628) has the molecular formula C18H18F8 and a molecular weight of 386.33 g/mol. Its IUPAC name is 2-methylheptane;1,2,3,4,5,6,7,8-octafluoronaphthalene.

Molecular Properties

Compound Name2-methylheptane;1,2,3,4,5,6,7,8-octafluoronaphthalene
PubChem CID174662628
Molecular FormulaC18H18F8
Molecular Weight386.33 g/mol
Exact Mass386.13
IUPAC Name2-methylheptane;1,2,3,4,5,6,7,8-octafluoronaphthalene
SMILESCCCCCC(C)C.Fc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F
InChIInChI=1S/C10F8.C8H18/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12;1-4-5-6-7-8(2)3/h;8H,4-7H2,1-3H3
InChIKeyWUJJJHRSRQEHJQ-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.33
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

mercury;2-methylheptane
CID 175108338
2-methylpentaoctacontane
CID 90745672
bis(2-methylheptane);propane
CID 158714851
2-methyldecane
CID 23415
2-methyltetratriacontane
CID 14275207
λ2-plumbane;2-methylheptane
CID 175297432
cobalt;2-methylheptane
CID 175521472
2-methyloctacosane
CID 519147
alumane;2-methyldecane
CID 174844655
lithium;hydride;2-methylheptane
CID 173040195
azane;2-methyloctadecane
CID 175414560
2-methylnonane;heptahydrofluoride
CID 160801749

Frequently Asked Questions

What is the IUPAC name of 2-methylheptane;1,2,3,4,5,6,7,8-octafluoronaphthalene?
The IUPAC name of 2-methylheptane;1,2,3,4,5,6,7,8-octafluoronaphthalene (CID 174662628) is 2-methylheptane;1,2,3,4,5,6,7,8-octafluoronaphthalene.
What is the SMILES notation for 2-methylheptane;1,2,3,4,5,6,7,8-octafluoronaphthalene?
The canonical SMILES for 2-methylheptane;1,2,3,4,5,6,7,8-octafluoronaphthalene is CCCCCC(C)C.Fc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F.
What is the InChIKey of 2-methylheptane;1,2,3,4,5,6,7,8-octafluoronaphthalene?
The InChIKey is WUJJJHRSRQEHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F8.C8H18/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12;1-4-5-6-7-8(2)3/h;8H,4-7H2,1-3H3.
What are the key properties of 2-methylheptane;1,2,3,4,5,6,7,8-octafluoronaphthalene?
2-methylheptane;1,2,3,4,5,6,7,8-octafluoronaphthalene has a molecular weight of 386.33 g/mol, XLogP of 7.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylheptane;1,2,3,4,5,6,7,8-octafluoronaphthalene is sourced from PubChem (CID 174662628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).