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

C12H9F3O — CID 10585314

IUPAC2-methyl-5-[4-(trifluoromethyl)phenyl]furan
SMILESCc1ccc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C12H9F3O/c1-8-2-7-11(16-8)9-3-5-10(6-4-9)12(13,14)15/h2-7H,1H3
InChIKeyKNAKLYJPDXUOKL-UHFFFAOYSA-N
MW226.20 g/mol
LogP4.27
Rot. Bonds1

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

2-methyl-5-[4-(trifluoromethyl)phenyl]furan (PubChem CID 10585314) has the molecular formula C12H9F3O and a molecular weight of 226.20 g/mol. Its IUPAC name is 2-methyl-5-[4-(trifluoromethyl)phenyl]furan.

Molecular Properties

Compound Name2-methyl-5-[4-(trifluoromethyl)phenyl]furan
PubChem CID10585314
Molecular FormulaC12H9F3O
Molecular Weight226.20 g/mol
Exact Mass226.06
IUPAC Name2-methyl-5-[4-(trifluoromethyl)phenyl]furan
SMILESCc1ccc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C12H9F3O/c1-8-2-7-11(16-8)9-3-5-10(6-4-9)12(13,14)15/h2-7H,1H3
InChIKeyKNAKLYJPDXUOKL-UHFFFAOYSA-N
XLogP4.27
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(trifluoromethyl)phenyl]furan?
The IUPAC name of 2-methyl-5-[4-(trifluoromethyl)phenyl]furan (CID 10585314) is 2-methyl-5-[4-(trifluoromethyl)phenyl]furan.
What is the SMILES notation for 2-methyl-5-[4-(trifluoromethyl)phenyl]furan?
The canonical SMILES for 2-methyl-5-[4-(trifluoromethyl)phenyl]furan is Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 2-methyl-5-[4-(trifluoromethyl)phenyl]furan?
The InChIKey is KNAKLYJPDXUOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3O/c1-8-2-7-11(16-8)9-3-5-10(6-4-9)12(13,14)15/h2-7H,1H3.
What are the key properties of 2-methyl-5-[4-(trifluoromethyl)phenyl]furan?
2-methyl-5-[4-(trifluoromethyl)phenyl]furan has a molecular weight of 226.20 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(trifluoromethyl)phenyl]furan is sourced from PubChem (CID 10585314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).