3-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuran

C9H13F3O — CID 163420034

IUPAC3-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuran
SMILESCCC1C=C([C@H](C)C(F)(F)F)OC1
InChIInChI=1S/C9H13F3O/c1-3-7-4-8(13-5-7)6(2)9(10,11)12/h4,6-7H,3,5H2,1-2H3/t6-,7?/m0/s1
InChIKeyAHRIUDUCMNVWHM-PKPIPKONSA-N
MW194.20 g/mol
LogP3.13
Rot. Bonds2

About 3-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuran

3-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuran (PubChem CID 163420034) has the molecular formula C9H13F3O and a molecular weight of 194.20 g/mol. Its IUPAC name is 3-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuran.

Molecular Properties

Compound Name3-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuran
PubChem CID163420034
Molecular FormulaC9H13F3O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name3-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuran
SMILESCCC1C=C([C@H](C)C(F)(F)F)OC1
InChIInChI=1S/C9H13F3O/c1-3-7-4-8(13-5-7)6(2)9(10,11)12/h4,6-7H,3,5H2,1-2H3/t6-,7?/m0/s1
InChIKeyAHRIUDUCMNVWHM-PKPIPKONSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuran?
The IUPAC name of 3-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuran (CID 163420034) is 3-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuran.
What is the SMILES notation for 3-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuran?
The canonical SMILES for 3-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuran is CCC1C=C([C@H](C)C(F)(F)F)OC1.
What is the InChIKey of 3-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuran?
The InChIKey is AHRIUDUCMNVWHM-PKPIPKONSA-N. The full InChI is InChI=1S/C9H13F3O/c1-3-7-4-8(13-5-7)6(2)9(10,11)12/h4,6-7H,3,5H2,1-2H3/t6-,7?/m0/s1.
What are the key properties of 3-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuran?
3-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuran has a molecular weight of 194.20 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuran is sourced from PubChem (CID 163420034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).