2-(1,1-difluoroethyl)-1,3,5-trimethoxybenzene

C11H14F2O3 — CID 116841570

IUPAC2-(1,1-difluoroethyl)-1,3,5-trimethoxybenzene
SMILESCOc1cc(OC)c(C(C)(F)F)c(OC)c1
InChIInChI=1S/C11H14F2O3/c1-11(12,13)10-8(15-3)5-7(14-2)6-9(10)16-4/h5-6H,1-4H3
InChIKeyAJFQCEZFTPZUSX-UHFFFAOYSA-N
MW232.23 g/mol
LogP2.82
Rot. Bonds4

About 2-(1,1-difluoroethyl)-1,3,5-trimethoxybenzene

2-(1,1-difluoroethyl)-1,3,5-trimethoxybenzene (PubChem CID 116841570) has the molecular formula C11H14F2O3 and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-1,3,5-trimethoxybenzene.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-1,3,5-trimethoxybenzene
PubChem CID116841570
Molecular FormulaC11H14F2O3
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name2-(1,1-difluoroethyl)-1,3,5-trimethoxybenzene
SMILESCOc1cc(OC)c(C(C)(F)F)c(OC)c1
InChIInChI=1S/C11H14F2O3/c1-11(12,13)10-8(15-3)5-7(14-2)6-9(10)16-4/h5-6H,1-4H3
InChIKeyAJFQCEZFTPZUSX-UHFFFAOYSA-N
XLogP2.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-2-(2,4,6-trimethoxyphenyl)propanoate
CID 116963092
1,3,5-trimethoxybenzene;1,3,5-trimethoxy-2,4-bis(trifluoromethyl)benzene
CID 158466163
2-(2,4,6-trimethoxyphenyl)propane-1,2-diamine
CID 116855607
4,4-difluoro-4-(2,4,6-trimethoxyphenyl)butanoic acid
CID 28745556
1-(2-fluoropropan-2-yl)-3,5-dimethoxybenzene
CID 90993757
(1R)-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine;hydrochloride
CID 171239954
1,3,5-trimethoxy-2,4-bis(trifluoromethyl)benzene
CID 137442942
1-[3-(2,4-dimethoxyphenyl)-2-fluoro-2-methylpropyl]-2,4-dimethoxybenzene
CID 175463366
3-(2,4,6-trimethoxyphenyl)hexan-3-ylphosphane
CID 166753423
3,5-dimethoxy-2-(trifluoromethylsulfanyl)phenol
CID 170909713
2,2-dimethyl-3-(2,4,6-trimethoxyphenyl)propanenitrile
CID 116927675
2-(1,1-difluoroethyl)-3-methoxyphenol
CID 84661311

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-1,3,5-trimethoxybenzene?
The IUPAC name of 2-(1,1-difluoroethyl)-1,3,5-trimethoxybenzene (CID 116841570) is 2-(1,1-difluoroethyl)-1,3,5-trimethoxybenzene.
What is the SMILES notation for 2-(1,1-difluoroethyl)-1,3,5-trimethoxybenzene?
The canonical SMILES for 2-(1,1-difluoroethyl)-1,3,5-trimethoxybenzene is COc1cc(OC)c(C(C)(F)F)c(OC)c1.
What is the InChIKey of 2-(1,1-difluoroethyl)-1,3,5-trimethoxybenzene?
The InChIKey is AJFQCEZFTPZUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O3/c1-11(12,13)10-8(15-3)5-7(14-2)6-9(10)16-4/h5-6H,1-4H3.
What are the key properties of 2-(1,1-difluoroethyl)-1,3,5-trimethoxybenzene?
2-(1,1-difluoroethyl)-1,3,5-trimethoxybenzene has a molecular weight of 232.23 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-1,3,5-trimethoxybenzene is sourced from PubChem (CID 116841570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).