Ethyl 2-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate

C8H9F3O3 — CID 175997289

IUPACethyl 2-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate
SMILESCCOC(=O)C1=CCC(O1)C(F)(F)F
InChIInChI=1S/C8H9F3O3/c1-2-13-7(12)5-3-4-6(14-5)8(9,10)11/h3,6H,2,4H2,1H3
InChIKeyWPRCMTUWZFTBET-UHFFFAOYSA-N
MW210.15 g/mol
LogP2.40
Rot. Bonds3

About Ethyl 2-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate

Ethyl 2-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate (PubChem CID 175997289) has the molecular formula C8H9F3O3 and a molecular weight of 210.15 g/mol. Its IUPAC name is ethyl 2-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate.

Molecular Properties

Compound NameEthyl 2-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate
PubChem CID175997289
Molecular FormulaC8H9F3O3
Molecular Weight210.15 g/mol
Exact Mass210.05
IUPAC Nameethyl 2-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate
SMILESCCOC(=O)C1=CCC(O1)C(F)(F)F
InChIInChI=1S/C8H9F3O3/c1-2-13-7(12)5-3-4-6(14-5)8(9,10)11/h3,6H,2,4H2,1H3
InChIKeyWPRCMTUWZFTBET-UHFFFAOYSA-N
XLogP2.40
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity257

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 4,5-dihydrofuran-2-carboxylate
CID 12483585
3-Methoxy-5-methyl-2(5h)-furanone
CID 14813848
4H-Pyran-2-carboxylic acid, 4-oxo-6-(trifluoromethyl)-, ethyl ester
CID 16766595
2-(trifluoromethoxy)ethyl (Z)-2-(trifluoromethoxy)non-2-enoate
CID 134931930
2-(trifluoromethoxy)ethyl (Z)-2-(trifluoromethoxy)pent-2-enoate
CID 134932606
Methyl 6,6,6-trifluoro-2-methoxy-5-oxohex-2-enoate
CID 86045720
methyl (Z)-6,6,6-trifluoro-2-methoxy-5-oxohex-2-enoate
CID 87557802
diethyl (E)-2-(1,1,1-trifluoropropan-2-yloxy)but-2-enedioate
CID 118048838
dimethyl (E)-2-(1,1,1-trifluoropropan-2-yloxy)but-2-enedioate
CID 118048839
Dimethyl 2-(1,1,1-trifluoropropan-2-yloxy)but-2-enedioate
CID 123399443
Ethyl 4-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate
CID 123450304
Ethyl 5-(2-fluoroprop-2-enylidene)-4-methylidenefuran-2-carboxylate
CID 123541911

Frequently Asked Questions

What is the IUPAC name of Ethyl 2-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate?
The IUPAC name of Ethyl 2-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate (CID 175997289) is ethyl 2-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate.
What is the SMILES notation for Ethyl 2-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate?
The canonical SMILES for Ethyl 2-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate is CCOC(=O)C1=CCC(O1)C(F)(F)F.
What is the InChIKey of Ethyl 2-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate?
The InChIKey is WPRCMTUWZFTBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3O3/c1-2-13-7(12)5-3-4-6(14-5)8(9,10)11/h3,6H,2,4H2,1H3.
What are the key properties of Ethyl 2-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate?
Ethyl 2-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate has a molecular weight of 210.15 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl 2-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate is sourced from PubChem (CID 175997289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).