4-[2-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene

C19H20F6 — CID 142196366

IUPAC4-[2-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene
SMILESCC1=CC=C(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)CC1C
InChIInChI=1S/C19H20F6/c1-11-5-7-15(9-13(11)3)17(18(20,21)22,19(23,24)25)16-8-6-12(2)14(4)10-16/h5-9,14H,10H2,1-4H3
InChIKeySVCXSHGWHBPOES-UHFFFAOYSA-N
MW362.36 g/mol
LogP6.58
Rot. Bonds2

About 4-[2-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene

4-[2-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene (PubChem CID 142196366) has the molecular formula C19H20F6 and a molecular weight of 362.36 g/mol. Its IUPAC name is 4-[2-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[2-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene
PubChem CID142196366
Molecular FormulaC19H20F6
Molecular Weight362.36 g/mol
Exact Mass362.15
IUPAC Name4-[2-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene
SMILESCC1=CC=C(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)CC1C
InChIInChI=1S/C19H20F6/c1-11-5-7-15(9-13(11)3)17(18(20,21)22,19(23,24)25)16-8-6-12(2)14(4)10-16/h5-9,14H,10H2,1-4H3
InChIKeySVCXSHGWHBPOES-UHFFFAOYSA-N
XLogP6.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.36
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenyl)phenyl]-1,2-dimethylbenzene
CID 54517400
4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene
CID 58193383
4-[2-(3,4-diiodophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene
CID 153123968
1,2-dimethyl-4-[1,1,1,3,3-pentachloro-2-(3,4-dimethylphenyl)-3-fluoropropan-2-yl]benzene
CID 166522420
4-[1-(3,4-dimethylphenyl)-1,2,2,3,3,3-hexafluoropropyl]-1,2-dimethylbenzene
CID 57319758
2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 14438707
4-(2-fluoro-2,3,4,4-tetramethylpentan-3-yl)-1,2-dimethylbenzene
CID 144617346
1,2-dimethyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)benzene
CID 164677102
4-(1,1,1,2,3,3-hexafluoropropan-2-yl)-1,2-dimethylbenzene
CID 87608464
4-(3,4-dimethylphenoxy)-1-[2-[4-[2-[4-[2-[4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylphenyl]ethyl]-3-methylphenyl]propan-2-yl]-2-methylphenyl]ethyl]-2-methylbenzene
CID 123849934
4-[2-[4-[2-[4-(3,4-dimethylphenyl)sulfonyl-2-methylphenyl]ethyl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene
CID 146371641
4-[1,1,1,3,3,3-hexafluoro-2-(3-methyl-4-propan-2-ylphenyl)propan-2-yl]-1-methyl-2-propan-2-ylbenzene
CID 88554019

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene?
The IUPAC name of 4-[2-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene (CID 142196366) is 4-[2-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[2-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene?
The canonical SMILES for 4-[2-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene is CC1=CC=C(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)CC1C.
What is the InChIKey of 4-[2-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene?
The InChIKey is SVCXSHGWHBPOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F6/c1-11-5-7-15(9-13(11)3)17(18(20,21)22,19(23,24)25)16-8-6-12(2)14(4)10-16/h5-9,14H,10H2,1-4H3.
What are the key properties of 4-[2-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene?
4-[2-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene has a molecular weight of 362.36 g/mol, XLogP of 6.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene is sourced from PubChem (CID 142196366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).