2-methyl-2-propan-2-yl-3-(trifluoromethyl)-3H-furan

C9H13F3O — CID 156562286

IUPAC2-methyl-2-propan-2-yl-3-(trifluoromethyl)-3H-furan
SMILESCC(C)C1(C)OC=CC1C(F)(F)F
InChIInChI=1S/C9H13F3O/c1-6(2)8(3)7(4-5-13-8)9(10,11)12/h4-7H,1-3H3
InChIKeyBOUPVKXTYMCFLT-UHFFFAOYSA-N
MW194.20 g/mol
LogP3.12
Rot. Bonds1

About 2-methyl-2-propan-2-yl-3-(trifluoromethyl)-3H-furan

2-methyl-2-propan-2-yl-3-(trifluoromethyl)-3H-furan (PubChem CID 156562286) has the molecular formula C9H13F3O and a molecular weight of 194.20 g/mol. Its IUPAC name is 2-methyl-2-propan-2-yl-3-(trifluoromethyl)-3H-furan.

Molecular Properties

Compound Name2-methyl-2-propan-2-yl-3-(trifluoromethyl)-3H-furan
PubChem CID156562286
Molecular FormulaC9H13F3O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name2-methyl-2-propan-2-yl-3-(trifluoromethyl)-3H-furan
SMILESCC(C)C1(C)OC=CC1C(F)(F)F
InChIInChI=1S/C9H13F3O/c1-6(2)8(3)7(4-5-13-8)9(10,11)12/h4-7H,1-3H3
InChIKeyBOUPVKXTYMCFLT-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-2-propan-2-yl-3-(trifluoromethyl)-3H-furan with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-Difluoro-3-(2-methoxyethenyl)cyclopentane
CID 157795644
2-(difluoromethyl)-2-methyl-3H-furan
CID 173356491
2,2-di(propan-2-yl)-3H-furan
CID 45091822
2-(1,1,1-Trifluoropropan-2-yl)-2,3-dihydrofuran
CID 162550877
2-methyl-2-propan-2-yl-3H-furan
CID 68060334
(2R)-2-methyl-2-propan-2-yl-3H-furan
CID 156838781
3-ethyl-2,2-dimethyl-3H-furan
CID 175223935

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propan-2-yl-3-(trifluoromethyl)-3H-furan?
The IUPAC name of 2-methyl-2-propan-2-yl-3-(trifluoromethyl)-3H-furan (CID 156562286) is 2-methyl-2-propan-2-yl-3-(trifluoromethyl)-3H-furan.
What is the SMILES notation for 2-methyl-2-propan-2-yl-3-(trifluoromethyl)-3H-furan?
The canonical SMILES for 2-methyl-2-propan-2-yl-3-(trifluoromethyl)-3H-furan is CC(C)C1(C)OC=CC1C(F)(F)F.
What is the InChIKey of 2-methyl-2-propan-2-yl-3-(trifluoromethyl)-3H-furan?
The InChIKey is BOUPVKXTYMCFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O/c1-6(2)8(3)7(4-5-13-8)9(10,11)12/h4-7H,1-3H3.
What are the key properties of 2-methyl-2-propan-2-yl-3-(trifluoromethyl)-3H-furan?
2-methyl-2-propan-2-yl-3-(trifluoromethyl)-3H-furan has a molecular weight of 194.20 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propan-2-yl-3-(trifluoromethyl)-3H-furan is sourced from PubChem (CID 156562286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).