2-[3-fluoro-4-methyl-5-(trifluoromethyl)phenyl]furan

C12H8F4O — CID 168528675

IUPAC2-[3-fluoro-4-methyl-5-(trifluoromethyl)phenyl]furan
SMILESCc1c(F)cc(-c2ccco2)cc1C(F)(F)F
InChIInChI=1S/C12H8F4O/c1-7-9(12(14,15)16)5-8(6-10(7)13)11-3-2-4-17-11/h2-6H,1H3
InChIKeyMUIJCTIWXYIKMM-UHFFFAOYSA-N
MW244.19 g/mol
LogP4.41
Rot. Bonds1

About 2-[3-fluoro-4-methyl-5-(trifluoromethyl)phenyl]furan

2-[3-fluoro-4-methyl-5-(trifluoromethyl)phenyl]furan (PubChem CID 168528675) has the molecular formula C12H8F4O and a molecular weight of 244.19 g/mol. Its IUPAC name is 2-[3-fluoro-4-methyl-5-(trifluoromethyl)phenyl]furan.

Molecular Properties

Compound Name2-[3-fluoro-4-methyl-5-(trifluoromethyl)phenyl]furan
PubChem CID168528675
Molecular FormulaC12H8F4O
Molecular Weight244.19 g/mol
Exact Mass244.05
IUPAC Name2-[3-fluoro-4-methyl-5-(trifluoromethyl)phenyl]furan
SMILESCc1c(F)cc(-c2ccco2)cc1C(F)(F)F
InChIInChI=1S/C12H8F4O/c1-7-9(12(14,15)16)5-8(6-10(7)13)11-3-2-4-17-11/h2-6H,1H3
InChIKeyMUIJCTIWXYIKMM-UHFFFAOYSA-N
XLogP4.41
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.19
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[3-fluoro-4-methyl-5-(trifluoromethyl)phenyl]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

2-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]furan
CID 168528467
2-(4-fluoro-3-methylphenyl)furan
CID 135296198
2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]furan
CID 168525152
2,3-difluoro-5-(furan-2-yl)phenol
CID 168525979
2-(3,5-dichlorophenyl)furan
CID 11557556
2-(4-chloro-3,5-dimethylphenyl)furan
CID 168527809
2-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]furan
CID 168526828
2-[2-fluoro-4-(trifluoromethyl)phenyl]furan
CID 168524503
4-(furan-2-yl)-2-(trifluoromethyl)pyridine
CID 90317774
2-fluoro-4-(furan-2-yl)benzonitrile
CID 130938678
2-(3-fluoro-5-iodophenyl)furan
CID 168524944
5-(3,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)aniline
CID 165458251

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-methyl-5-(trifluoromethyl)phenyl]furan?
The IUPAC name of 2-[3-fluoro-4-methyl-5-(trifluoromethyl)phenyl]furan (CID 168528675) is 2-[3-fluoro-4-methyl-5-(trifluoromethyl)phenyl]furan.
What is the SMILES notation for 2-[3-fluoro-4-methyl-5-(trifluoromethyl)phenyl]furan?
The canonical SMILES for 2-[3-fluoro-4-methyl-5-(trifluoromethyl)phenyl]furan is Cc1c(F)cc(-c2ccco2)cc1C(F)(F)F.
What is the InChIKey of 2-[3-fluoro-4-methyl-5-(trifluoromethyl)phenyl]furan?
The InChIKey is MUIJCTIWXYIKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4O/c1-7-9(12(14,15)16)5-8(6-10(7)13)11-3-2-4-17-11/h2-6H,1H3.
What are the key properties of 2-[3-fluoro-4-methyl-5-(trifluoromethyl)phenyl]furan?
2-[3-fluoro-4-methyl-5-(trifluoromethyl)phenyl]furan has a molecular weight of 244.19 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-methyl-5-(trifluoromethyl)phenyl]furan is sourced from PubChem (CID 168528675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).