1,2-dimethoxy-4-(trifluoromethoxy)benzene

C9H9F3O3 — CID 58342037

IUPAC1,2-dimethoxy-4-(trifluoromethoxy)benzene
SMILESCOc1ccc(OC(F)(F)F)cc1OC
InChIInChI=1S/C9H9F3O3/c1-13-7-4-3-6(5-8(7)14-2)15-9(10,11)12/h3-5H,1-2H3
InChIKeyQZWIVJLRFLFCCR-UHFFFAOYSA-N
MW222.16 g/mol
LogP2.60
Rot. Bonds3

About 1,2-dimethoxy-4-(trifluoromethoxy)benzene

1,2-dimethoxy-4-(trifluoromethoxy)benzene (PubChem CID 58342037) has the molecular formula C9H9F3O3 and a molecular weight of 222.16 g/mol. Its IUPAC name is 1,2-dimethoxy-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1,2-dimethoxy-4-(trifluoromethoxy)benzene
PubChem CID58342037
Molecular FormulaC9H9F3O3
Molecular Weight222.16 g/mol
Exact Mass222.05
IUPAC Name1,2-dimethoxy-4-(trifluoromethoxy)benzene
SMILESCOc1ccc(OC(F)(F)F)cc1OC
InChIInChI=1S/C9H9F3O3/c1-13-7-4-3-6(5-8(7)14-2)15-9(10,11)12/h3-5H,1-2H3
InChIKeyQZWIVJLRFLFCCR-UHFFFAOYSA-N
XLogP2.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.16
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methoxy-5-(trifluoromethoxy)phenyl]azanide
CID 158966007
1-iodo-2-methoxy-4-(trifluoromethoxy)benzene
CID 53415972
(R)-(3,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246015
(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171208716
2-methoxy-1-nitro-4-(trifluoromethoxy)benzene
CID 53417127
5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine
CID 170311859
methyl 2-[2-methoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170997187
(NZ)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
CID 26596685
3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanal
CID 134621524
4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene
CID 131171208
methyl 3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxylate
CID 137406864
N-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3863930

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-(trifluoromethoxy)benzene?
The IUPAC name of 1,2-dimethoxy-4-(trifluoromethoxy)benzene (CID 58342037) is 1,2-dimethoxy-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1,2-dimethoxy-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1,2-dimethoxy-4-(trifluoromethoxy)benzene is COc1ccc(OC(F)(F)F)cc1OC.
What is the InChIKey of 1,2-dimethoxy-4-(trifluoromethoxy)benzene?
The InChIKey is QZWIVJLRFLFCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O3/c1-13-7-4-3-6(5-8(7)14-2)15-9(10,11)12/h3-5H,1-2H3.
What are the key properties of 1,2-dimethoxy-4-(trifluoromethoxy)benzene?
1,2-dimethoxy-4-(trifluoromethoxy)benzene has a molecular weight of 222.16 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 58342037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).