methyl 2-[4-(difluoromethyl)-2-(trifluoromethoxy)phenyl]acetate

C11H9F5O3 — CID 170998947

IUPACmethyl 2-[4-(difluoromethyl)-2-(trifluoromethoxy)phenyl]acetate
SMILESCOC(=O)Cc1ccc(C(F)F)cc1OC(F)(F)F
InChIInChI=1S/C11H9F5O3/c1-18-9(17)5-6-2-3-7(10(12)13)4-8(6)19-11(14,15)16/h2-4,10H,5H2,1H3
InChIKeyGIOQYOACZKDKLV-UHFFFAOYSA-N
MW284.18 g/mol
LogP3.24
Rot. Bonds4

About methyl 2-[4-(difluoromethyl)-2-(trifluoromethoxy)phenyl]acetate

methyl 2-[4-(difluoromethyl)-2-(trifluoromethoxy)phenyl]acetate (PubChem CID 170998947) has the molecular formula C11H9F5O3 and a molecular weight of 284.18 g/mol. Its IUPAC name is methyl 2-[4-(difluoromethyl)-2-(trifluoromethoxy)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(difluoromethyl)-2-(trifluoromethoxy)phenyl]acetate
PubChem CID170998947
Molecular FormulaC11H9F5O3
Molecular Weight284.18 g/mol
Exact Mass284.05
IUPAC Namemethyl 2-[4-(difluoromethyl)-2-(trifluoromethoxy)phenyl]acetate
SMILESCOC(=O)Cc1ccc(C(F)F)cc1OC(F)(F)F
InChIInChI=1S/C11H9F5O3/c1-18-9(17)5-6-2-3-7(10(12)13)4-8(6)19-11(14,15)16/h2-4,10H,5H2,1H3
InChIKeyGIOQYOACZKDKLV-UHFFFAOYSA-N
XLogP3.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[5-(difluoromethyl)-2-(trifluoromethoxy)phenyl]propanoate
CID 134634736
1-bromo-3-[4-(difluoromethyl)-2-(trifluoromethoxy)phenyl]propan-2-one
CID 134616694
methyl 2-[4-methyl-2-(trifluoromethoxy)phenyl]acetate
CID 170997204
methyl 2-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]acetate
CID 170999571
methyl 5-(difluoromethyl)-2-(trifluoromethoxy)benzoate
CID 170998929
1-[4-(difluoromethyl)-2-(trifluoromethoxy)phenyl]propan-1-one
CID 118851290
2-bromo-1-[4-(difluoromethyl)-2-(trifluoromethoxy)phenyl]ethanone
CID 170998977
methyl 2-[6-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134681738
methyl 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134681746
methyl 3-[4-methyl-2-(trifluoromethoxy)phenyl]propanoate
CID 134634727
methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134662199
methyl 2-[2-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668956

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(difluoromethyl)-2-(trifluoromethoxy)phenyl]acetate?
The IUPAC name of methyl 2-[4-(difluoromethyl)-2-(trifluoromethoxy)phenyl]acetate (CID 170998947) is methyl 2-[4-(difluoromethyl)-2-(trifluoromethoxy)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-(difluoromethyl)-2-(trifluoromethoxy)phenyl]acetate?
The canonical SMILES for methyl 2-[4-(difluoromethyl)-2-(trifluoromethoxy)phenyl]acetate is COC(=O)Cc1ccc(C(F)F)cc1OC(F)(F)F.
What is the InChIKey of methyl 2-[4-(difluoromethyl)-2-(trifluoromethoxy)phenyl]acetate?
The InChIKey is GIOQYOACZKDKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F5O3/c1-18-9(17)5-6-2-3-7(10(12)13)4-8(6)19-11(14,15)16/h2-4,10H,5H2,1H3.
What are the key properties of methyl 2-[4-(difluoromethyl)-2-(trifluoromethoxy)phenyl]acetate?
methyl 2-[4-(difluoromethyl)-2-(trifluoromethoxy)phenyl]acetate has a molecular weight of 284.18 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(difluoromethyl)-2-(trifluoromethoxy)phenyl]acetate is sourced from PubChem (CID 170998947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).