1-[2-(4,5-dimethylnaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4,5-dimethylnaphthalene

C27H22F6 — CID 20767473

IUPAC1-[2-(4,5-dimethylnaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4,5-dimethylnaphthalene
SMILESCc1cccc2cc(C(c3ccc(C)c4c(C)cccc34)(C(F)(F)F)C(F)(F)F)cc(C)c12
InChIInChI=1S/C27H22F6/c1-15-7-5-9-19-14-20(13-18(4)23(15)19)25(26(28,29)30,27(31,32)33)22-12-11-17(3)24-16(2)8-6-10-21(22)24/h5-14H,1-4H3
InChIKeyGBWGPAJEFGGGNS-UHFFFAOYSA-N
MW460.46 g/mol
LogP8.64
Rot. Bonds2

About 1-[2-(4,5-dimethylnaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4,5-dimethylnaphthalene

1-[2-(4,5-dimethylnaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4,5-dimethylnaphthalene (PubChem CID 20767473) has the molecular formula C27H22F6 and a molecular weight of 460.46 g/mol. Its IUPAC name is 1-[2-(4,5-dimethylnaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4,5-dimethylnaphthalene.

Molecular Properties

Compound Name1-[2-(4,5-dimethylnaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4,5-dimethylnaphthalene
PubChem CID20767473
Molecular FormulaC27H22F6
Molecular Weight460.46 g/mol
Exact Mass460.16
IUPAC Name1-[2-(4,5-dimethylnaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4,5-dimethylnaphthalene
SMILESCc1cccc2cc(C(c3ccc(C)c4c(C)cccc34)(C(F)(F)F)C(F)(F)F)cc(C)c12
InChIInChI=1S/C27H22F6/c1-15-7-5-9-19-14-20(13-18(4)23(15)19)25(26(28,29)30,27(31,32)33)22-12-11-17(3)24-16(2)8-6-10-21(22)24/h5-14H,1-4H3
InChIKeyGBWGPAJEFGGGNS-UHFFFAOYSA-N
XLogP8.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.46
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,5-dimethylnaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4,5-dimethylnaphthalene?
The IUPAC name of 1-[2-(4,5-dimethylnaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4,5-dimethylnaphthalene (CID 20767473) is 1-[2-(4,5-dimethylnaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4,5-dimethylnaphthalene.
What is the SMILES notation for 1-[2-(4,5-dimethylnaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4,5-dimethylnaphthalene?
The canonical SMILES for 1-[2-(4,5-dimethylnaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4,5-dimethylnaphthalene is Cc1cccc2cc(C(c3ccc(C)c4c(C)cccc34)(C(F)(F)F)C(F)(F)F)cc(C)c12.
What is the InChIKey of 1-[2-(4,5-dimethylnaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4,5-dimethylnaphthalene?
The InChIKey is GBWGPAJEFGGGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F6/c1-15-7-5-9-19-14-20(13-18(4)23(15)19)25(26(28,29)30,27(31,32)33)22-12-11-17(3)24-16(2)8-6-10-21(22)24/h5-14H,1-4H3.
What are the key properties of 1-[2-(4,5-dimethylnaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4,5-dimethylnaphthalene?
1-[2-(4,5-dimethylnaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4,5-dimethylnaphthalene has a molecular weight of 460.46 g/mol, XLogP of 8.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,5-dimethylnaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4,5-dimethylnaphthalene is sourced from PubChem (CID 20767473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).