3,4,5-trimethyl-3-(trifluoromethyl)-2H-furan

C8H11F3O — CID 67968801

IUPAC3,4,5-trimethyl-3-(trifluoromethyl)-2H-furan
SMILESCC1=C(C)C(C)(C(F)(F)F)CO1
InChIInChI=1S/C8H11F3O/c1-5-6(2)12-4-7(5,3)8(9,10)11/h4H2,1-3H3
InChIKeyYUYBGPKCAOUIKN-UHFFFAOYSA-N
MW180.17 g/mol
LogP2.88
Rot. Bonds

About 3,4,5-trimethyl-3-(trifluoromethyl)-2H-furan

3,4,5-trimethyl-3-(trifluoromethyl)-2H-furan (PubChem CID 67968801) has the molecular formula C8H11F3O and a molecular weight of 180.17 g/mol. Its IUPAC name is 3,4,5-trimethyl-3-(trifluoromethyl)-2H-furan.

Molecular Properties

Compound Name3,4,5-trimethyl-3-(trifluoromethyl)-2H-furan
PubChem CID67968801
Molecular FormulaC8H11F3O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name3,4,5-trimethyl-3-(trifluoromethyl)-2H-furan
SMILESCC1=C(C)C(C)(C(F)(F)F)CO1
InChIInChI=1S/C8H11F3O/c1-5-6(2)12-4-7(5,3)8(9,10)11/h4H2,1-3H3
InChIKeyYUYBGPKCAOUIKN-UHFFFAOYSA-N
XLogP2.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-3-(trifluoromethyl)-2H-furan?
The IUPAC name of 3,4,5-trimethyl-3-(trifluoromethyl)-2H-furan (CID 67968801) is 3,4,5-trimethyl-3-(trifluoromethyl)-2H-furan.
What is the SMILES notation for 3,4,5-trimethyl-3-(trifluoromethyl)-2H-furan?
The canonical SMILES for 3,4,5-trimethyl-3-(trifluoromethyl)-2H-furan is CC1=C(C)C(C)(C(F)(F)F)CO1.
What is the InChIKey of 3,4,5-trimethyl-3-(trifluoromethyl)-2H-furan?
The InChIKey is YUYBGPKCAOUIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O/c1-5-6(2)12-4-7(5,3)8(9,10)11/h4H2,1-3H3.
What are the key properties of 3,4,5-trimethyl-3-(trifluoromethyl)-2H-furan?
3,4,5-trimethyl-3-(trifluoromethyl)-2H-furan has a molecular weight of 180.17 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-3-(trifluoromethyl)-2H-furan is sourced from PubChem (CID 67968801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).