2-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-phenylmethylidene]adamantane

C22H19F7 — CID 11676033

IUPAC2-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-phenylmethylidene]adamantane
SMILESFC1=C(C(=C2C3CC4CC(C3)CC2C4)c2ccccc2)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C22H19F7/c23-19-18(20(24,25)22(28,29)21(19,26)27)17(13-4-2-1-3-5-13)16-14-7-11-6-12(9-14)10-15(16)8-11/h1-5,11-12,14-15H,6-10H2/b17-16-
InChIKeyKUORVWHWDVCHJF-MSUUIHNZSA-N
MW416.38 g/mol
LogP7.04
Rot. Bonds2

About 2-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-phenylmethylidene]adamantane

2-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-phenylmethylidene]adamantane (PubChem CID 11676033) has the molecular formula C22H19F7 and a molecular weight of 416.38 g/mol. Its IUPAC name is 2-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-phenylmethylidene]adamantane.

Molecular Properties

Compound Name2-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-phenylmethylidene]adamantane
PubChem CID11676033
Molecular FormulaC22H19F7
Molecular Weight416.38 g/mol
Exact Mass416.14
IUPAC Name2-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-phenylmethylidene]adamantane
SMILESFC1=C(C(=C2C3CC4CC(C3)CC2C4)c2ccccc2)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C22H19F7/c23-19-18(20(24,25)22(28,29)21(19,26)27)17(13-4-2-1-3-5-13)16-14-7-11-6-12(9-14)10-15(16)8-11/h1-5,11-12,14-15H,6-10H2/b17-16-
InChIKeyKUORVWHWDVCHJF-MSUUIHNZSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.38
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

adamantane;(4-fluorophenyl)-phenylmethanone
CID 174728613
2-[1-(3-methylphenyl)ethylidene]adamantane
CID 59114982
(1S,2R,4S)-7-benzhydrylidenebicyclo[2.2.1]heptan-2-ol
CID 21120382
trisodium;tris([1-adamantyl(phenyl)methylidene]azanide);benzene
CID 139152158
11-benzhydrylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
CID 627836
(2-bromo-2-adamantyl)-phenylmethanone
CID 10245377
1,2,3,3,4,4,5,5-octafluorocyclopentene
CID 11212
diphenylmethanimine;ethane
CID 145102767
2-benzhydrylideneoxirane
CID 174764540
7-benzhydrylidenebicyclo[2.2.1]heptan-2-one
CID 13452439
1-[diazo(phenyl)methyl]adamantane
CID 102002808
[(5S,7R)-1-fluoro-2-adamantyl] benzoate
CID 10333555

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-phenylmethylidene]adamantane?
The IUPAC name of 2-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-phenylmethylidene]adamantane (CID 11676033) is 2-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-phenylmethylidene]adamantane.
What is the SMILES notation for 2-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-phenylmethylidene]adamantane?
The canonical SMILES for 2-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-phenylmethylidene]adamantane is FC1=C(C(=C2C3CC4CC(C3)CC2C4)c2ccccc2)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-phenylmethylidene]adamantane?
The InChIKey is KUORVWHWDVCHJF-MSUUIHNZSA-N. The full InChI is InChI=1S/C22H19F7/c23-19-18(20(24,25)22(28,29)21(19,26)27)17(13-4-2-1-3-5-13)16-14-7-11-6-12(9-14)10-15(16)8-11/h1-5,11-12,14-15H,6-10H2/b17-16-.
What are the key properties of 2-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-phenylmethylidene]adamantane?
2-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-phenylmethylidene]adamantane has a molecular weight of 416.38 g/mol, XLogP of 7.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-phenylmethylidene]adamantane is sourced from PubChem (CID 11676033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).