1-[2-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propoxy]propan-2-yl]-3-(trifluoromethyl)benzene

C22H24F6O — CID 57305563

IUPAC1-[2-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propoxy]propan-2-yl]-3-(trifluoromethyl)benzene
SMILESCC(C)(COCC(C)(C)c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H24F6O/c1-19(2,15-7-5-9-17(11-15)21(23,24)25)13-29-14-20(3,4)16-8-6-10-18(12-16)22(26,27)28/h5-12H,13-14H2,1-4H3
InChIKeyJVPAHEDQXLQMRC-UHFFFAOYSA-N
MW418.42 g/mol
LogP7.00
Rot. Bonds6

About 1-[2-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propoxy]propan-2-yl]-3-(trifluoromethyl)benzene

1-[2-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propoxy]propan-2-yl]-3-(trifluoromethyl)benzene (PubChem CID 57305563) has the molecular formula C22H24F6O and a molecular weight of 418.42 g/mol. Its IUPAC name is 1-[2-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propoxy]propan-2-yl]-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[2-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propoxy]propan-2-yl]-3-(trifluoromethyl)benzene
PubChem CID57305563
Molecular FormulaC22H24F6O
Molecular Weight418.42 g/mol
Exact Mass418.17
IUPAC Name1-[2-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propoxy]propan-2-yl]-3-(trifluoromethyl)benzene
SMILESCC(C)(COCC(C)(C)c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H24F6O/c1-19(2,15-7-5-9-17(11-15)21(23,24)25)13-29-14-20(3,4)16-8-6-10-18(12-16)22(26,27)28/h5-12H,13-14H2,1-4H3
InChIKeyJVPAHEDQXLQMRC-UHFFFAOYSA-N
XLogP7.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.42
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1-Phenylcyclohexyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene
CID 71583093
6-(6-Hydroxy-5-methyl-5-phenylhexyloxy)-2-methyl-2-phenylhexan-1-ol
CID 11749901
2-(2-Ethoxyethyl)-1,1'-biphenyl
CID 3023481
2-Methyl-4,4-diphenyloxolane
CID 24799575
3,4-Difluoro-4'-(2-methoxy-ethyl)-biphenyl
CID 53964401
1-[2-(Difluoromethoxy)ethyl]naphthalene
CID 162716634
3-(2-Benzyl-1-iodo-3-phenylprop-1-enyl)-4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)oxolane
CID 57407695
3-Fluoro-3-methyl-5,5-diphenyloxane
CID 122380282
Tris(m-fluorophenyl)methyl diethyl ether
CID 129657375
(5S)-2,2-dimethyl-5-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]oxolane
CID 134942851
[(2S)-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]pentyl] acetate
CID 154709132
1-(2-(1,1-Difluoro-2phenylethoxy)ethyl)naphthalene
CID 156025525

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propoxy]propan-2-yl]-3-(trifluoromethyl)benzene?
The IUPAC name of 1-[2-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propoxy]propan-2-yl]-3-(trifluoromethyl)benzene (CID 57305563) is 1-[2-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propoxy]propan-2-yl]-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[2-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propoxy]propan-2-yl]-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-[2-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propoxy]propan-2-yl]-3-(trifluoromethyl)benzene is CC(C)(COCC(C)(C)c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[2-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propoxy]propan-2-yl]-3-(trifluoromethyl)benzene?
The InChIKey is JVPAHEDQXLQMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F6O/c1-19(2,15-7-5-9-17(11-15)21(23,24)25)13-29-14-20(3,4)16-8-6-10-18(12-16)22(26,27)28/h5-12H,13-14H2,1-4H3.
What are the key properties of 1-[2-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propoxy]propan-2-yl]-3-(trifluoromethyl)benzene?
1-[2-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propoxy]propan-2-yl]-3-(trifluoromethyl)benzene has a molecular weight of 418.42 g/mol, XLogP of 7.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propoxy]propan-2-yl]-3-(trifluoromethyl)benzene is sourced from PubChem (CID 57305563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).