2-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylfuran

C13H10ClF3O — CID 21064435

IUPAC2-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylfuran
SMILESCCc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1
InChIInChI=1S/C13H10ClF3O/c1-2-9-4-6-12(18-9)10-7-8(13(15,16)17)3-5-11(10)14/h3-7H,2H2,1H3
InChIKeyJDSTUOIQLWEWBQ-UHFFFAOYSA-N
MW274.67 g/mol
LogP5.18
Rot. Bonds2

About 2-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylfuran

2-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylfuran (PubChem CID 21064435) has the molecular formula C13H10ClF3O and a molecular weight of 274.67 g/mol. Its IUPAC name is 2-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylfuran.

Molecular Properties

Compound Name2-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylfuran
PubChem CID21064435
Molecular FormulaC13H10ClF3O
Molecular Weight274.67 g/mol
Exact Mass274.04
IUPAC Name2-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylfuran
SMILESCCc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1
InChIInChI=1S/C13H10ClF3O/c1-2-9-4-6-12(18-9)10-7-8(13(15,16)17)3-5-11(10)14/h3-7H,2H2,1H3
InChIKeyJDSTUOIQLWEWBQ-UHFFFAOYSA-N
XLogP5.18
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.67
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylfuran?
The IUPAC name of 2-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylfuran (CID 21064435) is 2-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylfuran.
What is the SMILES notation for 2-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylfuran?
The canonical SMILES for 2-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylfuran is CCc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1.
What is the InChIKey of 2-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylfuran?
The InChIKey is JDSTUOIQLWEWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3O/c1-2-9-4-6-12(18-9)10-7-8(13(15,16)17)3-5-11(10)14/h3-7H,2H2,1H3.
What are the key properties of 2-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylfuran?
2-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylfuran has a molecular weight of 274.67 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylfuran is sourced from PubChem (CID 21064435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).