4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene

C11H13F3O — CID 20755055

IUPAC4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene
SMILESCOc1ccc(C(C)C)c(C(F)(F)F)c1
InChIInChI=1S/C11H13F3O/c1-7(2)9-5-4-8(15-3)6-10(9)11(12,13)14/h4-7H,1-3H3
InChIKeyQJOMMLUOUVXALF-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.84
Rot. Bonds2

About 4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene

4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene (PubChem CID 20755055) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is 4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene
PubChem CID20755055
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene
SMILESCOc1ccc(C(C)C)c(C(F)(F)F)c1
InChIInChI=1S/C11H13F3O/c1-7(2)9-5-4-8(15-3)6-10(9)11(12,13)14/h4-7H,1-3H3
InChIKeyQJOMMLUOUVXALF-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-methoxy-1-propan-2-yl-2-(trifluoromethyl)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

(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethane-1,2-diamine;hydrochloride
CID 171227707
1-heptan-4-yl-4-methoxy-2-(trifluoromethyl)benzene
CID 134265966
(2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171227759
(1S)-3-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171227736
(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171227710
(1S,2R)-1-amino-1-[4-methoxy-2-(trifluoromethyl)phenyl]-3-methylpentan-2-ol;hydrochloride
CID 171269178
(2R,3R)-3-amino-1,1,1-trifluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171263503
3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 170875043
methyl (2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]acetate;hydrochloride
CID 171227758
1-propan-2-yl-2,4-bis(trifluoromethyl)benzene
CID 20613821
(3S)-3-amino-2,2-difluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 171249128
methyl 2,3-dihydroxy-3-[4-methoxy-2-(trifluoromethyl)phenyl]propanoate
CID 171865335

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene?
The IUPAC name of 4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene (CID 20755055) is 4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene is COc1ccc(C(C)C)c(C(F)(F)F)c1.
What is the InChIKey of 4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene?
The InChIKey is QJOMMLUOUVXALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O/c1-7(2)9-5-4-8(15-3)6-10(9)11(12,13)14/h4-7H,1-3H3.
What are the key properties of 4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene?
4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene has a molecular weight of 218.22 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 20755055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).