1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;methane;1-methoxy-2-methylpropane;2-methylpropane;propane

C37H76F6O2 — CID 159850859

IUPAC1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;methane;1-methoxy-2-methylpropane;2-methylpropane;propane
SMILESC.C.C.C.C.C.C.C.CC(C)C.CCC.COCC(C)C.COc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C17H14F6O.C5H12O.C4H10.C3H8.8CH4/c1-11-3-5-12(6-4-11)15(16(18,19)20,17(21,22)23)13-7-9-14(24-2)10-8-13;1-5(2)4-6-3;1-4(2)3;1-3-2;;;;;;;;/h3-10H,1-2H3;5H,4H2,1-3H3;4H,1-3H3;3H2,1-2H3;8*1H4
InChIKeyNPXKGQIZPMWBIS-UHFFFAOYSA-N
MW667.00 g/mol
LogP14.87
Rot. Bonds5

About 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;methane;1-methoxy-2-methylpropane;2-methylpropane;propane

1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;methane;1-methoxy-2-methylpropane;2-methylpropane;propane (PubChem CID 159850859) has the molecular formula C37H76F6O2 and a molecular weight of 667.00 g/mol. Its IUPAC name is 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;methane;1-methoxy-2-methylpropane;2-methylpropane;propane.

Molecular Properties

Compound Name1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;methane;1-methoxy-2-methylpropane;2-methylpropane;propane
PubChem CID159850859
Molecular FormulaC37H76F6O2
Molecular Weight667.00 g/mol
Exact Mass666.57
IUPAC Name1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;methane;1-methoxy-2-methylpropane;2-methylpropane;propane
SMILESC.C.C.C.C.C.C.C.CC(C)C.CCC.COCC(C)C.COc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C17H14F6O.C5H12O.C4H10.C3H8.8CH4/c1-11-3-5-12(6-4-11)15(16(18,19)20,17(21,22)23)13-7-9-14(24-2)10-8-13;1-5(2)4-6-3;1-4(2)3;1-3-2;;;;;;;;/h3-10H,1-2H3;5H,4H2,1-3H3;4H,1-3H3;3H2,1-2H3;8*1H4
InChIKeyNPXKGQIZPMWBIS-UHFFFAOYSA-N
XLogP14.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.00
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;methane;1-methoxy-2-methylpropane;2-methylpropane;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dimethoxyethane;1,2-dimethoxypropane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene
CID 91154448
1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene
CID 88568102
1-methoxy-4-methylbenzene;propane
CID 142064987
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-butan-2-yl-2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]benzene
CID 59850430
1-[1,1-bis(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzene
CID 170262798
1-bromo-4-(4-bromophenoxy)benzene;1-bromo-4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene
CID 91234372
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
methane;1-methoxy-4-methylbenzene;propane;1,2-xylene
CID 158575939
1-(113C)methoxy-4-methylbenzene
CID 166176950
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
[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 18728940

Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;methane;1-methoxy-2-methylpropane;2-methylpropane;propane?
The IUPAC name of 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) is 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;methane;1-methoxy-2-methylpropane;2-methylpropane;propane.
What is the SMILES notation for 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;methane;1-methoxy-2-methylpropane;2-methylpropane;propane?
The canonical SMILES for 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;methane;1-methoxy-2-methylpropane;2-methylpropane;propane is C.C.C.C.C.C.C.C.CC(C)C.CCC.COCC(C)C.COc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;methane;1-methoxy-2-methylpropane;2-methylpropane;propane?
The InChIKey is NPXKGQIZPMWBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6O.C5H12O.C4H10.C3H8.8CH4/c1-11-3-5-12(6-4-11)15(16(18,19)20,17(21,22)23)13-7-9-14(24-2)10-8-13;1-5(2)4-6-3;1-4(2)3;1-3-2;;;;;;;;/h3-10H,1-2H3;5H,4H2,1-3H3;4H,1-3H3;3H2,1-2H3;8*1H4.
What are the key properties of 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;methane;1-methoxy-2-methylpropane;2-methylpropane;propane?
1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;methane;1-methoxy-2-methylpropane;2-methylpropane;propane has a molecular weight of 667.00 g/mol, XLogP of 14.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;methane;1-methoxy-2-methylpropane;2-methylpropane;propane is sourced from PubChem (CID 159850859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).