[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 2-methylfuran-3-carboxylate

C12H13F3O4 — CID 97066298

IUPAC[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)O[C@@H]([C@H]1CCCO1)C(F)(F)F
InChIInChI=1S/C12H13F3O4/c1-7-8(4-6-17-7)11(16)19-10(12(13,14)15)9-3-2-5-18-9/h4,6,9-10H,2-3,5H2,1H3/t9-,10+/m1/s1
InChIKeyLGYKFEUCZNCRQF-ZJUUUORDSA-N
MW278.23 g/mol
LogP2.85
Rot. Bonds3

About [(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 2-methylfuran-3-carboxylate

[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 2-methylfuran-3-carboxylate (PubChem CID 97066298) has the molecular formula C12H13F3O4 and a molecular weight of 278.23 g/mol. Its IUPAC name is [(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 2-methylfuran-3-carboxylate
PubChem CID97066298
Molecular FormulaC12H13F3O4
Molecular Weight278.23 g/mol
Exact Mass278.08
IUPAC Name[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)O[C@@H]([C@H]1CCCO1)C(F)(F)F
InChIInChI=1S/C12H13F3O4/c1-7-8(4-6-17-7)11(16)19-10(12(13,14)15)9-3-2-5-18-9/h4,6,9-10H,2-3,5H2,1H3/t9-,10+/m1/s1
InChIKeyLGYKFEUCZNCRQF-ZJUUUORDSA-N
XLogP2.85
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 2-methylfuran-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 1,3-thiazole-4-carboxylate
CID 97245122
cyclobutyl 2-methylfuran-3-carboxylate
CID 130662591
[(1S)-2,2,2-trifluoro-1-[(2S)-oxolan-2-yl]ethyl] trifluoromethanesulfonate
CID 98124524
[(1S)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7663147
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 43031206
iodo 2-methylfuran-3-carboxylate
CID 126570406
cyclopentyl-(2-methylfuran-3-yl)methanone
CID 104789343
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-methylfuran-3-carboxylate
CID 8515014
CID 140659686
CID 140659686
1-[(2-methylfuran-3-carbonyl)amino]-3-[2-(trifluoromethyl)cyclohexyl]thiourea
CID 123931750
[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 8968404
[1-(1-adamantylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 17477026

Frequently Asked Questions

What is the IUPAC name of [(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 2-methylfuran-3-carboxylate?
The IUPAC name of [(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 2-methylfuran-3-carboxylate (CID 97066298) is [(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 2-methylfuran-3-carboxylate.
What is the SMILES notation for [(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 2-methylfuran-3-carboxylate?
The canonical SMILES for [(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 2-methylfuran-3-carboxylate is Cc1occc1C(=O)O[C@@H]([C@H]1CCCO1)C(F)(F)F.
What is the InChIKey of [(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 2-methylfuran-3-carboxylate?
The InChIKey is LGYKFEUCZNCRQF-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H13F3O4/c1-7-8(4-6-17-7)11(16)19-10(12(13,14)15)9-3-2-5-18-9/h4,6,9-10H,2-3,5H2,1H3/t9-,10+/m1/s1.
What are the key properties of [(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 2-methylfuran-3-carboxylate?
[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 2-methylfuran-3-carboxylate has a molecular weight of 278.23 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl] 2-methylfuran-3-carboxylate is sourced from PubChem (CID 97066298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).