2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene

C11H13F3O — CID 59734586

IUPAC2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene
SMILESCc1cc(OC(F)(F)F)ccc1C(C)C
InChIInChI=1S/C11H13F3O/c1-7(2)10-5-4-9(6-8(10)3)15-11(12,13)14/h4-7H,1-3H3
InChIKeyRPBFNNUNZMGIRG-UHFFFAOYSA-N
MW218.22 g/mol
LogP4.02
Rot. Bonds2

About 2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene

2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene (PubChem CID 59734586) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene
PubChem CID59734586
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene
SMILESCc1cc(OC(F)(F)F)ccc1C(C)C
InChIInChI=1S/C11H13F3O/c1-7(2)10-5-4-9(6-8(10)3)15-11(12,13)14/h4-7H,1-3H3
InChIKeyRPBFNNUNZMGIRG-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-di(propan-2-yl)-4-(trifluoromethoxy)benzene
CID 59455097
1-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyl-4-(trifluoromethoxy)benzene
CID 134959786
methyl 2-propan-2-yl-5-(trifluoromethoxy)benzoate
CID 18925610
(S)-(4-methoxy-2-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171244237
2-bromo-1-methyl-4-(trifluoromethoxy)benzene
CID 54333957
2-iodo-1-methyl-4-(trifluoromethoxy)benzene
CID 146710880
1,2-difluoro-4-methyl-5-(3-methyl-4-propan-2-ylphenoxy)benzene
CID 177076482
1-(3-bromobutan-2-yl)-4-(trifluoromethoxy)benzene
CID 66470056
2-methyl-1-propyl-4-(trifluoromethoxy)benzene
CID 118269891
2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 47095242
(R)-(4-chloro-2-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171250333
2-hex-4-en-2-yl-1-methyl-4-(trifluoromethoxy)benzene
CID 123806348

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene?
The IUPAC name of 2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene (CID 59734586) is 2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene?
The canonical SMILES for 2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene is Cc1cc(OC(F)(F)F)ccc1C(C)C.
What is the InChIKey of 2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene?
The InChIKey is RPBFNNUNZMGIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O/c1-7(2)10-5-4-9(6-8(10)3)15-11(12,13)14/h4-7H,1-3H3.
What are the key properties of 2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene?
2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene has a molecular weight of 218.22 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 59734586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).