1,3,5-trimethoxy-2,4-bis(trifluoromethyl)benzene

C11H10F6O3 — CID 137442942

IUPAC1,3,5-trimethoxy-2,4-bis(trifluoromethyl)benzene
SMILESCOc1cc(OC)c(C(F)(F)F)c(OC)c1C(F)(F)F
InChIInChI=1S/C11H10F6O3/c1-18-5-4-6(19-2)8(11(15,16)17)9(20-3)7(5)10(12,13)14/h4H,1-3H3
InChIKeyYOZQSLQXULHUJL-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.75
Rot. Bonds3

About 1,3,5-trimethoxy-2,4-bis(trifluoromethyl)benzene

1,3,5-trimethoxy-2,4-bis(trifluoromethyl)benzene (PubChem CID 137442942) has the molecular formula C11H10F6O3 and a molecular weight of 304.19 g/mol. Its IUPAC name is 1,3,5-trimethoxy-2,4-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,3,5-trimethoxy-2,4-bis(trifluoromethyl)benzene
PubChem CID137442942
Molecular FormulaC11H10F6O3
Molecular Weight304.19 g/mol
Exact Mass304.05
IUPAC Name1,3,5-trimethoxy-2,4-bis(trifluoromethyl)benzene
SMILESCOc1cc(OC)c(C(F)(F)F)c(OC)c1C(F)(F)F
InChIInChI=1S/C11H10F6O3/c1-18-5-4-6(19-2)8(11(15,16)17)9(20-3)7(5)10(12,13)14/h4H,1-3H3
InChIKeyYOZQSLQXULHUJL-UHFFFAOYSA-N
XLogP3.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,5-trimethoxybenzene;1,3,5-trimethoxy-2,4-bis(trifluoromethyl)benzene
CID 158466163
3,5-dimethoxy-2-(trifluoromethyl)benzene-1,4-diol
CID 163283549
1-methoxy-2,3,5-trimethyl-4-(trifluoromethyl)benzene
CID 116964846
1-[3-chloro-2,5-dimethoxy-4-(trifluoromethyl)phenyl]propan-2-amine
CID 169028870
2-(1,1-difluoroethyl)-1,3,5-trimethoxybenzene
CID 116841570
6-methoxy-5-(trifluoromethyl)naphthalene-2-thiol
CID 15670610
1-[5-chloro-3-methoxy-2-(trifluoromethyl)phenyl]ethanone
CID 131526444
2-(2,3,5,6-tetramethoxyphenyl)propan-2-ol
CID 165348100
5-bromo-1-(bromomethyl)-3-methoxy-2-(trifluoromethyl)benzene
CID 171004035
5-(chloromethyl)-1-methoxy-2,3-bis(trifluoromethyl)benzene
CID 134623064
2-chloro-1-[5-chloro-3-methoxy-2-(trifluoromethyl)phenyl]ethanone
CID 171028469
1-chloro-2-methoxy-4-methyl-5-(trifluoromethyl)benzene
CID 116964823

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethoxy-2,4-bis(trifluoromethyl)benzene?
The IUPAC name of 1,3,5-trimethoxy-2,4-bis(trifluoromethyl)benzene (CID 137442942) is 1,3,5-trimethoxy-2,4-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1,3,5-trimethoxy-2,4-bis(trifluoromethyl)benzene?
The canonical SMILES for 1,3,5-trimethoxy-2,4-bis(trifluoromethyl)benzene is COc1cc(OC)c(C(F)(F)F)c(OC)c1C(F)(F)F.
What is the InChIKey of 1,3,5-trimethoxy-2,4-bis(trifluoromethyl)benzene?
The InChIKey is YOZQSLQXULHUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6O3/c1-18-5-4-6(19-2)8(11(15,16)17)9(20-3)7(5)10(12,13)14/h4H,1-3H3.
What are the key properties of 1,3,5-trimethoxy-2,4-bis(trifluoromethyl)benzene?
1,3,5-trimethoxy-2,4-bis(trifluoromethyl)benzene has a molecular weight of 304.19 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethoxy-2,4-bis(trifluoromethyl)benzene is sourced from PubChem (CID 137442942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).