1,2,3,4,5,6,7-heptafluoro-8-propan-2-ylnaphthalene

C13H7F7 — CID 177120385

IUPAC1,2,3,4,5,6,7-heptafluoro-8-propan-2-ylnaphthalene
SMILESCC(C)c1c(F)c(F)c(F)c2c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C13H7F7/c1-3(2)4-5-6(9(16)11(18)7(4)14)10(17)13(20)12(19)8(5)15/h3H,1-2H3
InChIKeyBPXNKINQBXCRSJ-UHFFFAOYSA-N
MW296.19 g/mol
LogP4.94
Rot. Bonds1

About 1,2,3,4,5,6,7-heptafluoro-8-propan-2-ylnaphthalene

1,2,3,4,5,6,7-heptafluoro-8-propan-2-ylnaphthalene (PubChem CID 177120385) has the molecular formula C13H7F7 and a molecular weight of 296.19 g/mol. Its IUPAC name is 1,2,3,4,5,6,7-heptafluoro-8-propan-2-ylnaphthalene.

Molecular Properties

Compound Name1,2,3,4,5,6,7-heptafluoro-8-propan-2-ylnaphthalene
PubChem CID177120385
Molecular FormulaC13H7F7
Molecular Weight296.19 g/mol
Exact Mass296.04
IUPAC Name1,2,3,4,5,6,7-heptafluoro-8-propan-2-ylnaphthalene
SMILESCC(C)c1c(F)c(F)c(F)c2c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C13H7F7/c1-3(2)4-5-6(9(16)11(18)7(4)14)10(17)13(20)12(19)8(5)15/h3H,1-2H3
InChIKeyBPXNKINQBXCRSJ-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 54.94
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

1,2,3,4-tetrafluoro-5,6-di(propan-2-yl)benzene
CID 150741990
1,2,3,4,5-pentafluoro-6-[1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene
CID 21113589
1-ethyl-2,3,5,6-tetrafluoro-4-propan-2-ylbenzene
CID 122480972
1-butan-2-yl-2,3,4,5,6-pentafluorobenzene
CID 13127659
3,4,5-trifluoro-2,6-di(propan-2-yl)benzoic acid
CID 87323711
2-methylheptane;1,2,3,4,5,6,7,8-octafluoronaphthalene
CID 174662628
1,2,4,5-tetrafluoro-3,6-bis[(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)sulfanyl]benzene
CID 135273031
1,2,3,4,5-pentafluoro-6-(3-methylbutan-2-yl)benzene
CID 123931314
1-ethyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)benzene
CID 174123096
2-chloro-4,5,6-trifluoro-3-propan-2-ylaniline
CID 156531002
1,3-dichloro-2,4,5-trifluoro-6-propan-2-ylbenzene
CID 170123735
1,2,3-trifluoro-5-methyl-4-propan-2-yl-6-(trifluoromethyl)benzene
CID 175404259

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7-heptafluoro-8-propan-2-ylnaphthalene?
The IUPAC name of 1,2,3,4,5,6,7-heptafluoro-8-propan-2-ylnaphthalene (CID 177120385) is 1,2,3,4,5,6,7-heptafluoro-8-propan-2-ylnaphthalene.
What is the SMILES notation for 1,2,3,4,5,6,7-heptafluoro-8-propan-2-ylnaphthalene?
The canonical SMILES for 1,2,3,4,5,6,7-heptafluoro-8-propan-2-ylnaphthalene is CC(C)c1c(F)c(F)c(F)c2c(F)c(F)c(F)c(F)c12.
What is the InChIKey of 1,2,3,4,5,6,7-heptafluoro-8-propan-2-ylnaphthalene?
The InChIKey is BPXNKINQBXCRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F7/c1-3(2)4-5-6(9(16)11(18)7(4)14)10(17)13(20)12(19)8(5)15/h3H,1-2H3.
What are the key properties of 1,2,3,4,5,6,7-heptafluoro-8-propan-2-ylnaphthalene?
1,2,3,4,5,6,7-heptafluoro-8-propan-2-ylnaphthalene has a molecular weight of 296.19 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7-heptafluoro-8-propan-2-ylnaphthalene is sourced from PubChem (CID 177120385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).