2-methyl-1-propyl-4-(trifluoromethoxy)benzene

C11H13F3O — CID 118269891

IUPAC2-methyl-1-propyl-4-(trifluoromethoxy)benzene
SMILESCCCc1ccc(OC(F)(F)F)cc1C
InChIInChI=1S/C11H13F3O/c1-3-4-9-5-6-10(7-8(9)2)15-11(12,13)14/h5-7H,3-4H2,1-2H3
InChIKeyZWDDBMUQNOSBIB-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.85
Rot. Bonds3

About 2-methyl-1-propyl-4-(trifluoromethoxy)benzene

2-methyl-1-propyl-4-(trifluoromethoxy)benzene (PubChem CID 118269891) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-methyl-1-propyl-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-methyl-1-propyl-4-(trifluoromethoxy)benzene
PubChem CID118269891
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name2-methyl-1-propyl-4-(trifluoromethoxy)benzene
SMILESCCCc1ccc(OC(F)(F)F)cc1C
InChIInChI=1S/C11H13F3O/c1-3-4-9-5-6-10(7-8(9)2)15-11(12,13)14/h5-7H,3-4H2,1-2H3
InChIKeyZWDDBMUQNOSBIB-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-1-propyl-4-(trifluoromethoxy)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

N-[[2-methyl-4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 167530793
(4-chlorophenyl)-[2-propyl-5-(trifluoromethoxy)phenyl]methanone
CID 150676491
2-methyl-1-(2-methylpropyl)-4-[4-(trifluoromethoxy)phenoxy]benzene
CID 90327154
2-(chloromethyl)-1-ethyl-4-(trifluoromethoxy)benzene
CID 170998693
ethyl 2-methyl-4-(trifluoromethoxy)benzoate
CID 134541854
2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene
CID 59734586
ethyl 2-ethyl-5-(trifluoromethoxy)benzoate
CID 170266184
ethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
CID 170999189
2-iodo-1-methyl-4-(trifluoromethoxy)benzene
CID 146710880
2-bromo-1-methyl-4-(trifluoromethoxy)benzene
CID 54333957
1,9-difluoro-2-propyl-7-[4-(trifluoromethoxy)phenyl]phenanthrene
CID 22045652
N-[2-(2,4-dimethylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3861014

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propyl-4-(trifluoromethoxy)benzene?
The IUPAC name of 2-methyl-1-propyl-4-(trifluoromethoxy)benzene (CID 118269891) is 2-methyl-1-propyl-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 2-methyl-1-propyl-4-(trifluoromethoxy)benzene?
The canonical SMILES for 2-methyl-1-propyl-4-(trifluoromethoxy)benzene is CCCc1ccc(OC(F)(F)F)cc1C.
What is the InChIKey of 2-methyl-1-propyl-4-(trifluoromethoxy)benzene?
The InChIKey is ZWDDBMUQNOSBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O/c1-3-4-9-5-6-10(7-8(9)2)15-11(12,13)14/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-methyl-1-propyl-4-(trifluoromethoxy)benzene?
2-methyl-1-propyl-4-(trifluoromethoxy)benzene has a molecular weight of 218.22 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propyl-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 118269891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).