1-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene

C19H18F6O — CID 163451177

IUPAC1-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1ccc(C(c2ccccc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C19H18F6O/c1-16(2,3)26-15-11-9-14(10-12-15)17(18(20,21)22,19(23,24)25)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyBGSVCHWOMWRUCR-UHFFFAOYSA-N
MW376.34 g/mol
LogP6.27
Rot. Bonds3

About 1-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene

1-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 163451177) has the molecular formula C19H18F6O and a molecular weight of 376.34 g/mol. Its IUPAC name is 1-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name1-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID163451177
Molecular FormulaC19H18F6O
Molecular Weight376.34 g/mol
Exact Mass376.13
IUPAC Name1-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1ccc(C(c2ccccc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C19H18F6O/c1-16(2,3)26-15-11-9-14(10-12-15)17(18(20,21)22,19(23,24)25)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyBGSVCHWOMWRUCR-UHFFFAOYSA-N
XLogP6.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.34
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene 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

azane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene
CID 18759354
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-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[1-(4-methylphenyl)-1-phenylethyl]benzene
CID 158299637
1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene
CID 88568102
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 159885563
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 161423888
1-(1,1-dicyclopropyl-2,2,2-trifluoroethyl)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 22983565
(2-methylpropan-2-yl)oxybenzene;propane
CID 169265117
1,1,2,2-tetrakis[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diol
CID 58750857
(1,1,1-trifluoro-2-methylpropan-2-yl)oxybenzene
CID 91459981
N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline
CID 159776182
2-tert-butyl-4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenol
CID 143986537

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 1-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene (CID 163451177) is 1-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 1-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 1-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene is CC(C)(C)Oc1ccc(C(c2ccccc2)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 1-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is BGSVCHWOMWRUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6O/c1-16(2,3)26-15-11-9-14(10-12-15)17(18(20,21)22,19(23,24)25)13-7-5-4-6-8-13/h4-12H,1-3H3.
What are the key properties of 1-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene?
1-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 376.34 g/mol, XLogP of 6.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 163451177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).