4-ethyl-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan

C11H15F3O — CID 58736666

IUPAC4-ethyl-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan
SMILESCCc1coc([C@H](C(C)C)C(F)(F)F)c1
InChIInChI=1S/C11H15F3O/c1-4-8-5-9(15-6-8)10(7(2)3)11(12,13)14/h5-7,10H,4H2,1-3H3/t10-/m0/s1
InChIKeyBFYNPIBSMOEYFM-JTQLQIEISA-N
MW220.23 g/mol
LogP4.14
Rot. Bonds3

About 4-ethyl-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan

4-ethyl-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan (PubChem CID 58736666) has the molecular formula C11H15F3O and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-ethyl-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan.

Molecular Properties

Compound Name4-ethyl-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan
PubChem CID58736666
Molecular FormulaC11H15F3O
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Name4-ethyl-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan
SMILESCCc1coc([C@H](C(C)C)C(F)(F)F)c1
InChIInChI=1S/C11H15F3O/c1-4-8-5-9(15-6-8)10(7(2)3)11(12,13)14/h5-7,10H,4H2,1-3H3/t10-/m0/s1
InChIKeyBFYNPIBSMOEYFM-JTQLQIEISA-N
XLogP4.14
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 82657153
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3-ethylpentane;1,3,5-triethylbenzene
CID 159585163
1-(3-ethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312595
ethane;1-ethyl-3-propan-2-yl-5-(trifluoromethyl)benzene
CID 155737797
1-(3,5-diethylphenyl)propan-2-amine
CID 89151749
trilithium;benzene;1,3,5-triethylbenzene
CID 175560263

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan?
The IUPAC name of 4-ethyl-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan (CID 58736666) is 4-ethyl-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan.
What is the SMILES notation for 4-ethyl-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan?
The canonical SMILES for 4-ethyl-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan is CCc1coc([C@H](C(C)C)C(F)(F)F)c1.
What is the InChIKey of 4-ethyl-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan?
The InChIKey is BFYNPIBSMOEYFM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15F3O/c1-4-8-5-9(15-6-8)10(7(2)3)11(12,13)14/h5-7,10H,4H2,1-3H3/t10-/m0/s1.
What are the key properties of 4-ethyl-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan?
4-ethyl-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan has a molecular weight of 220.23 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan is sourced from PubChem (CID 58736666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).