1-(2-methylpropyl)-4-[2-(trifluoromethoxy)phenyl]benzene

C17H17F3O — CID 118833201

IUPAC1-(2-methylpropyl)-4-[2-(trifluoromethoxy)phenyl]benzene
SMILESCC(C)Cc1ccc(-c2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C17H17F3O/c1-12(2)11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)21-17(18,19)20/h3-10,12H,11H2,1-2H3
InChIKeyNHDDMIVSVPKELO-UHFFFAOYSA-N
MW294.32 g/mol
LogP5.45
Rot. Bonds4

About 1-(2-methylpropyl)-4-[2-(trifluoromethoxy)phenyl]benzene

1-(2-methylpropyl)-4-[2-(trifluoromethoxy)phenyl]benzene (PubChem CID 118833201) has the molecular formula C17H17F3O and a molecular weight of 294.32 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-[2-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-[2-(trifluoromethoxy)phenyl]benzene
PubChem CID118833201
Molecular FormulaC17H17F3O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name1-(2-methylpropyl)-4-[2-(trifluoromethoxy)phenyl]benzene
SMILESCC(C)Cc1ccc(-c2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C17H17F3O/c1-12(2)11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)21-17(18,19)20/h3-10,12H,11H2,1-2H3
InChIKeyNHDDMIVSVPKELO-UHFFFAOYSA-N
XLogP5.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.32
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-[3-[4-(2-methylpropyl)phenyl]-4-(trifluoromethoxy)phenyl]methanamine
CID 172652228
(2S)-2-amino-3-[4-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 150225443
bis[2-[4-(2-methylpropyl)phenyl]phenyl] carbonate
CID 66629489
1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
4-[2-(trifluoromethoxy)phenyl]aniline
CID 16768545
1-bromo-4-[2-(trifluoromethoxy)phenyl]benzene
CID 123878641
4-[2-[4-[2-(trifluoromethoxy)phenyl]phenyl]ethyl]benzonitrile
CID 57031804
5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 158518333
1-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118812996
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
1-bromo-2-[4-(2-methylpropyl)phenyl]benzene
CID 145150198
2-propan-2-yloxy-5-[2-(trifluoromethoxy)phenyl]aniline
CID 164512500

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-[2-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 1-(2-methylpropyl)-4-[2-(trifluoromethoxy)phenyl]benzene (CID 118833201) is 1-(2-methylpropyl)-4-[2-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1-(2-methylpropyl)-4-[2-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 1-(2-methylpropyl)-4-[2-(trifluoromethoxy)phenyl]benzene is CC(C)Cc1ccc(-c2ccccc2OC(F)(F)F)cc1.
What is the InChIKey of 1-(2-methylpropyl)-4-[2-(trifluoromethoxy)phenyl]benzene?
The InChIKey is NHDDMIVSVPKELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3O/c1-12(2)11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)21-17(18,19)20/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-4-[2-(trifluoromethoxy)phenyl]benzene?
1-(2-methylpropyl)-4-[2-(trifluoromethoxy)phenyl]benzene has a molecular weight of 294.32 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-[2-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 118833201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).