4-propan-2-yl-2-(2,2,2-trifluoroethoxy)furan

C9H11F3O2 — CID 134553703

IUPAC4-propan-2-yl-2-(2,2,2-trifluoroethoxy)furan
SMILESCC(C)c1coc(OCC(F)(F)F)c1
InChIInChI=1S/C9H11F3O2/c1-6(2)7-3-8(13-4-7)14-5-9(10,11)12/h3-4,6H,5H2,1-2H3
InChIKeyQQAJBPAAVJPFFN-UHFFFAOYSA-N
MW208.18 g/mol
LogP3.34
Rot. Bonds3

About 4-propan-2-yl-2-(2,2,2-trifluoroethoxy)furan

4-propan-2-yl-2-(2,2,2-trifluoroethoxy)furan (PubChem CID 134553703) has the molecular formula C9H11F3O2 and a molecular weight of 208.18 g/mol. Its IUPAC name is 4-propan-2-yl-2-(2,2,2-trifluoroethoxy)furan.

Molecular Properties

Compound Name4-propan-2-yl-2-(2,2,2-trifluoroethoxy)furan
PubChem CID134553703
Molecular FormulaC9H11F3O2
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC Name4-propan-2-yl-2-(2,2,2-trifluoroethoxy)furan
SMILESCC(C)c1coc(OCC(F)(F)F)c1
InChIInChI=1S/C9H11F3O2/c1-6(2)7-3-8(13-4-7)14-5-9(10,11)12/h3-4,6H,5H2,1-2H3
InChIKeyQQAJBPAAVJPFFN-UHFFFAOYSA-N
XLogP3.34
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(2,2,2-trifluoroethoxy)furan?
The IUPAC name of 4-propan-2-yl-2-(2,2,2-trifluoroethoxy)furan (CID 134553703) is 4-propan-2-yl-2-(2,2,2-trifluoroethoxy)furan.
What is the SMILES notation for 4-propan-2-yl-2-(2,2,2-trifluoroethoxy)furan?
The canonical SMILES for 4-propan-2-yl-2-(2,2,2-trifluoroethoxy)furan is CC(C)c1coc(OCC(F)(F)F)c1.
What is the InChIKey of 4-propan-2-yl-2-(2,2,2-trifluoroethoxy)furan?
The InChIKey is QQAJBPAAVJPFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O2/c1-6(2)7-3-8(13-4-7)14-5-9(10,11)12/h3-4,6H,5H2,1-2H3.
What are the key properties of 4-propan-2-yl-2-(2,2,2-trifluoroethoxy)furan?
4-propan-2-yl-2-(2,2,2-trifluoroethoxy)furan has a molecular weight of 208.18 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(2,2,2-trifluoroethoxy)furan is sourced from PubChem (CID 134553703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).