2-methyl-5-(4,4,4-trifluorobutyl)furan

C9H11F3O — CID 142883029

IUPAC2-methyl-5-(4,4,4-trifluorobutyl)furan
SMILESCc1ccc(CCCC(F)(F)F)o1
InChIInChI=1S/C9H11F3O/c1-7-4-5-8(13-7)3-2-6-9(10,11)12/h4-5H,2-3,6H2,1H3
InChIKeyFWRGBGAOYBQVGW-UHFFFAOYSA-N
MW192.18 g/mol
LogP3.47
Rot. Bonds3

About 2-methyl-5-(4,4,4-trifluorobutyl)furan

2-methyl-5-(4,4,4-trifluorobutyl)furan (PubChem CID 142883029) has the molecular formula C9H11F3O and a molecular weight of 192.18 g/mol. Its IUPAC name is 2-methyl-5-(4,4,4-trifluorobutyl)furan.

Molecular Properties

Compound Name2-methyl-5-(4,4,4-trifluorobutyl)furan
PubChem CID142883029
Molecular FormulaC9H11F3O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name2-methyl-5-(4,4,4-trifluorobutyl)furan
SMILESCc1ccc(CCCC(F)(F)F)o1
InChIInChI=1S/C9H11F3O/c1-7-4-5-8(13-7)3-2-6-9(10,11)12/h4-5H,2-3,6H2,1H3
InChIKeyFWRGBGAOYBQVGW-UHFFFAOYSA-N
XLogP3.47
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-5-(4,4,4-trifluorobutyl)furan with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4,4,4-trifluorobutyl)furan?
The IUPAC name of 2-methyl-5-(4,4,4-trifluorobutyl)furan (CID 142883029) is 2-methyl-5-(4,4,4-trifluorobutyl)furan.
What is the SMILES notation for 2-methyl-5-(4,4,4-trifluorobutyl)furan?
The canonical SMILES for 2-methyl-5-(4,4,4-trifluorobutyl)furan is Cc1ccc(CCCC(F)(F)F)o1.
What is the InChIKey of 2-methyl-5-(4,4,4-trifluorobutyl)furan?
The InChIKey is FWRGBGAOYBQVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O/c1-7-4-5-8(13-7)3-2-6-9(10,11)12/h4-5H,2-3,6H2,1H3.
What are the key properties of 2-methyl-5-(4,4,4-trifluorobutyl)furan?
2-methyl-5-(4,4,4-trifluorobutyl)furan has a molecular weight of 192.18 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4,4,4-trifluorobutyl)furan is sourced from PubChem (CID 142883029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).