4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene

C18H16F6 — CID 58193383

IUPAC4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene
SMILESCc1cccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C18H16F6/c1-11-5-4-6-14(9-11)16(17(19,20)21,18(22,23)24)15-8-7-12(2)13(3)10-15/h4-10H,1-3H3
InChIKeyVIRSSIBTLJZFEE-UHFFFAOYSA-N
MW346.31 g/mol
LogP6.02
Rot. Bonds2

About 4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene

4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene (PubChem CID 58193383) has the molecular formula C18H16F6 and a molecular weight of 346.31 g/mol. Its IUPAC name is 4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene
PubChem CID58193383
Molecular FormulaC18H16F6
Molecular Weight346.31 g/mol
Exact Mass346.12
IUPAC Name4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene
SMILESCc1cccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C18H16F6/c1-11-5-4-6-14(9-11)16(17(19,20)21,18(22,23)24)15-8-7-12(2)13(3)10-15/h4-10H,1-3H3
InChIKeyVIRSSIBTLJZFEE-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 56.02
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-[2-(3,4-diiodophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene
CID 153123968
1-[1,1,2,2,3,3-hexafluoro-3-(3-methylphenyl)propyl]-3-methylbenzene
CID 163492269
1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
CID 143856845
4-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline
CID 166839779
1-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-methylbenzene
CID 143291553
1-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-[2-[5-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylphenyl]ethyl]-2-methylbenzene
CID 134525177
1-methyl-3-[1,1,2,2-tetrafluoro-2-[4-(1,1,2,2-tetrafluoropropyl)phenyl]ethyl]benzene
CID 158300208
1,2-dimethyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)benzene
CID 164677102
1,2-dimethyl-4-[1,1,1,3,3-pentachloro-2-(3,4-dimethylphenyl)-3-fluoropropan-2-yl]benzene
CID 166522420
2,3,3,3-tetrafluoro-2-(3-methylphenyl)propan-1-amine
CID 84735272
4-[1-(3,4-dimethylphenyl)-1,2,2,3,3,3-hexafluoropropyl]-1,2-dimethylbenzene
CID 57319758

Frequently Asked Questions

What is the IUPAC name of 4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene?
The IUPAC name of 4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene (CID 58193383) is 4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene?
The canonical SMILES for 4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene is Cc1cccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of 4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene?
The InChIKey is VIRSSIBTLJZFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6/c1-11-5-4-6-14(9-11)16(17(19,20)21,18(22,23)24)15-8-7-12(2)13(3)10-15/h4-10H,1-3H3.
What are the key properties of 4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene?
4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene has a molecular weight of 346.31 g/mol, XLogP of 6.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene is sourced from PubChem (CID 58193383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).