1-ethoxypropan-2-yl 2-fluoro-3-(trifluoromethyl)benzoate

C13H14F4O3 — CID 103490942

IUPAC1-ethoxypropan-2-yl 2-fluoro-3-(trifluoromethyl)benzoate
SMILESCCOCC(C)OC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C13H14F4O3/c1-3-19-7-8(2)20-12(18)9-5-4-6-10(11(9)14)13(15,16)17/h4-6,8H,3,7H2,1-2H3
InChIKeyMYLQPZWAJQAHCB-UHFFFAOYSA-N
MW294.24 g/mol
LogP3.43
Rot. Bonds5

About 1-ethoxypropan-2-yl 2-fluoro-3-(trifluoromethyl)benzoate

1-ethoxypropan-2-yl 2-fluoro-3-(trifluoromethyl)benzoate (PubChem CID 103490942) has the molecular formula C13H14F4O3 and a molecular weight of 294.24 g/mol. Its IUPAC name is 1-ethoxypropan-2-yl 2-fluoro-3-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name1-ethoxypropan-2-yl 2-fluoro-3-(trifluoromethyl)benzoate
PubChem CID103490942
Molecular FormulaC13H14F4O3
Molecular Weight294.24 g/mol
Exact Mass294.09
IUPAC Name1-ethoxypropan-2-yl 2-fluoro-3-(trifluoromethyl)benzoate
SMILESCCOCC(C)OC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C13H14F4O3/c1-3-19-7-8(2)20-12(18)9-5-4-6-10(11(9)14)13(15,16)17/h4-6,8H,3,7H2,1-2H3
InChIKeyMYLQPZWAJQAHCB-UHFFFAOYSA-N
XLogP3.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxypropan-2-yl 2-sulfanylbenzoate
CID 107019199
pentadecan-5-yl 2-fluoro-3-(trifluoromethyl)benzoate
CID 91731280
tridecan-5-yl 2-fluoro-3-(trifluoromethyl)benzoate
CID 91731130
tridecyl 2-fluoro-3-(trifluoromethyl)benzoate
CID 91731222
2-fluoro-N-(1-methoxybutan-2-yl)-3-(trifluoromethyl)benzamide
CID 79885627
N-butan-2-yl-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885795
2-(2-methoxyethoxy)ethyl 2-fluoro-3-(trifluoromethyl)benzoate
CID 115682836
1-ethoxypropan-2-yl 2,4-diaminobenzoate
CID 103489471
methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate
CID 79885001
1-ethoxypropan-2-yl 1,2,3,4-tetrahydroquinoline-5-carboxylate
CID 103489104
N-(1-aminopropan-2-yl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 112701403
pentan-2-yl 2-fluoro-6-(trifluoromethyl)benzoate
CID 91730854

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-yl 2-fluoro-3-(trifluoromethyl)benzoate?
The IUPAC name of 1-ethoxypropan-2-yl 2-fluoro-3-(trifluoromethyl)benzoate (CID 103490942) is 1-ethoxypropan-2-yl 2-fluoro-3-(trifluoromethyl)benzoate.
What is the SMILES notation for 1-ethoxypropan-2-yl 2-fluoro-3-(trifluoromethyl)benzoate?
The canonical SMILES for 1-ethoxypropan-2-yl 2-fluoro-3-(trifluoromethyl)benzoate is CCOCC(C)OC(=O)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 1-ethoxypropan-2-yl 2-fluoro-3-(trifluoromethyl)benzoate?
The InChIKey is MYLQPZWAJQAHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4O3/c1-3-19-7-8(2)20-12(18)9-5-4-6-10(11(9)14)13(15,16)17/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 1-ethoxypropan-2-yl 2-fluoro-3-(trifluoromethyl)benzoate?
1-ethoxypropan-2-yl 2-fluoro-3-(trifluoromethyl)benzoate has a molecular weight of 294.24 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-yl 2-fluoro-3-(trifluoromethyl)benzoate is sourced from PubChem (CID 103490942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).