1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene

C26H18F12O2 — CID 88568102

IUPAC1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene
SMILESCOc1ccc(C(c2ccc(C(c3ccc(OC)cc3)(C(F)(F)F)C(F)(F)F)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C26H18F12O2/c1-39-19-11-7-17(8-12-19)21(23(27,28)29,24(30,31)32)15-3-5-16(6-4-15)22(25(33,34)35,26(36,37)38)18-9-13-20(40-2)14-10-18/h3-14H,1-2H3
InChIKeyDLLHCRIVTHGOQH-UHFFFAOYSA-N
MW590.40 g/mol
LogP8.53
Rot. Bonds6

About 1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene

1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene (PubChem CID 88568102) has the molecular formula C26H18F12O2 and a molecular weight of 590.40 g/mol. Its IUPAC name is 1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene
PubChem CID88568102
Molecular FormulaC26H18F12O2
Molecular Weight590.40 g/mol
Exact Mass590.11
IUPAC Name1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene
SMILESCOc1ccc(C(c2ccc(C(c3ccc(OC)cc3)(C(F)(F)F)C(F)(F)F)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C26H18F12O2/c1-39-19-11-7-17(8-12-19)21(23(27,28)29,24(30,31)32)15-3-5-16(6-4-15)22(25(33,34)35,26(36,37)38)18-9-13-20(40-2)14-10-18/h3-14H,1-2H3
InChIKeyDLLHCRIVTHGOQH-UHFFFAOYSA-N
XLogP8.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.40
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 18728940
4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 159467125
1,2-dimethoxyethane;1,2-dimethoxypropane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene
CID 91154448
1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
CID 159097892
1-[1,1,1,3,3,3-hexafluoro-2-[4-[1,2,2,3,3,4-hexafluoro-4-[4-[4-(1,2,2,3,3,4-hexafluoro-4-methylcyclobutyl)oxyphenyl]phenoxy]cyclobutyl]oxyphenyl]propan-2-yl]-4-methoxybenzene
CID 58868348
1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;methane;1-methoxy-2-methylpropane;2-methylpropane;propane
CID 159850859
1-(2,3-dibromo-1,1,1-trifluoropropan-2-yl)-4-methoxybenzene
CID 154711398
1,1,1-trifluoro-2-(4-methoxyphenyl)-N-methylpropan-2-amine
CID 66204746
[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylsulfonyloxyphenyl)propan-2-yl]phenyl] methanesulfonate
CID 14205044
2,2,2-trifluoro-1-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 175254129
9,9-bis(4-methoxyphenyl)fluorene;1,4-dimethoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;methylsulfanylmethane
CID 158814053
1-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 163451177

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene?
The IUPAC name of 1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene (CID 88568102) is 1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene.
What is the SMILES notation for 1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene?
The canonical SMILES for 1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene is COc1ccc(C(c2ccc(C(c3ccc(OC)cc3)(C(F)(F)F)C(F)(F)F)cc2)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene?
The InChIKey is DLLHCRIVTHGOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F12O2/c1-39-19-11-7-17(8-12-19)21(23(27,28)29,24(30,31)32)15-3-5-16(6-4-15)22(25(33,34)35,26(36,37)38)18-9-13-20(40-2)14-10-18/h3-14H,1-2H3.
What are the key properties of 1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene?
1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene has a molecular weight of 590.40 g/mol, XLogP of 8.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene is sourced from PubChem (CID 88568102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).