2-tert-butyl-5-(trifluoromethyl)furan

C9H11F3O — CID 134482627

IUPAC2-tert-butyl-5-(trifluoromethyl)furan
SMILESCC(C)(C)c1ccc(C(F)(F)F)o1
InChIInChI=1S/C9H11F3O/c1-8(2,3)6-4-5-7(13-6)9(10,11)12/h4-5H,1-3H3
InChIKeyHNLVAAIFUYMRPU-UHFFFAOYSA-N
MW192.18 g/mol
LogP3.60
Rot. Bonds

About 2-tert-butyl-5-(trifluoromethyl)furan

2-tert-butyl-5-(trifluoromethyl)furan (PubChem CID 134482627) has the molecular formula C9H11F3O and a molecular weight of 192.18 g/mol. Its IUPAC name is 2-tert-butyl-5-(trifluoromethyl)furan.

Molecular Properties

Compound Name2-tert-butyl-5-(trifluoromethyl)furan
PubChem CID134482627
Molecular FormulaC9H11F3O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name2-tert-butyl-5-(trifluoromethyl)furan
SMILESCC(C)(C)c1ccc(C(F)(F)F)o1
InChIInChI=1S/C9H11F3O/c1-8(2,3)6-4-5-7(13-6)9(10,11)12/h4-5H,1-3H3
InChIKeyHNLVAAIFUYMRPU-UHFFFAOYSA-N
XLogP3.60
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Ethyl-5-methylfuran
CID 74346
2-(1-Methylethyl)furan
CID 12200728
2-tert-Butylfuran
CID 138903
2-Methyl-5-propylfuran
CID 5191689
(E)-6-Methyl-6-(5-methyl-2-furanyl)-3-hepten-2-one
CID 21767560
2-Methyl-5-(1-methylethyl)furan
CID 10678230
CID 361838
CID 361838
2,5-Di-tert-butylfuran
CID 138352
6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one
CID 579180
2,5-Diethylfuran
CID 6428556
2-Pentanone, 4-methyl-4-(5-methyl-2-furanyl)-
CID 3015588
2-Butyl-5-methylfuran
CID 3333144

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(trifluoromethyl)furan?
The IUPAC name of 2-tert-butyl-5-(trifluoromethyl)furan (CID 134482627) is 2-tert-butyl-5-(trifluoromethyl)furan.
What is the SMILES notation for 2-tert-butyl-5-(trifluoromethyl)furan?
The canonical SMILES for 2-tert-butyl-5-(trifluoromethyl)furan is CC(C)(C)c1ccc(C(F)(F)F)o1.
What is the InChIKey of 2-tert-butyl-5-(trifluoromethyl)furan?
The InChIKey is HNLVAAIFUYMRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O/c1-8(2,3)6-4-5-7(13-6)9(10,11)12/h4-5H,1-3H3.
What are the key properties of 2-tert-butyl-5-(trifluoromethyl)furan?
2-tert-butyl-5-(trifluoromethyl)furan has a molecular weight of 192.18 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(trifluoromethyl)furan is sourced from PubChem (CID 134482627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).