2-[2-(4-chloro-3,5-dimethylphenoxy)-5-(trifluoromethyl)phenyl]furan

C19H14ClF3O2 — CID 168524769

IUPAC2-[2-(4-chloro-3,5-dimethylphenoxy)-5-(trifluoromethyl)phenyl]furan
SMILESCc1cc(Oc2ccc(C(F)(F)F)cc2-c2ccco2)cc(C)c1Cl
InChIInChI=1S/C19H14ClF3O2/c1-11-8-14(9-12(2)18(11)20)25-17-6-5-13(19(21,22)23)10-15(17)16-4-3-7-24-16/h3-10H,1-2H3
InChIKeyJMWHCNQQKGDIPR-UHFFFAOYSA-N
MW366.77 g/mol
LogP7.03
Rot. Bonds3

About 2-[2-(4-chloro-3,5-dimethylphenoxy)-5-(trifluoromethyl)phenyl]furan

2-[2-(4-chloro-3,5-dimethylphenoxy)-5-(trifluoromethyl)phenyl]furan (PubChem CID 168524769) has the molecular formula C19H14ClF3O2 and a molecular weight of 366.77 g/mol. Its IUPAC name is 2-[2-(4-chloro-3,5-dimethylphenoxy)-5-(trifluoromethyl)phenyl]furan.

Molecular Properties

Compound Name2-[2-(4-chloro-3,5-dimethylphenoxy)-5-(trifluoromethyl)phenyl]furan
PubChem CID168524769
Molecular FormulaC19H14ClF3O2
Molecular Weight366.77 g/mol
Exact Mass366.06
IUPAC Name2-[2-(4-chloro-3,5-dimethylphenoxy)-5-(trifluoromethyl)phenyl]furan
SMILESCc1cc(Oc2ccc(C(F)(F)F)cc2-c2ccco2)cc(C)c1Cl
InChIInChI=1S/C19H14ClF3O2/c1-11-8-14(9-12(2)18(11)20)25-17-6-5-13(19(21,22)23)10-15(17)16-4-3-7-24-16/h3-10H,1-2H3
InChIKeyJMWHCNQQKGDIPR-UHFFFAOYSA-N
XLogP7.03
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.77
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-3,5-dimethylphenoxy)-5-(trifluoromethyl)phenyl]furan?
The IUPAC name of 2-[2-(4-chloro-3,5-dimethylphenoxy)-5-(trifluoromethyl)phenyl]furan (CID 168524769) is 2-[2-(4-chloro-3,5-dimethylphenoxy)-5-(trifluoromethyl)phenyl]furan.
What is the SMILES notation for 2-[2-(4-chloro-3,5-dimethylphenoxy)-5-(trifluoromethyl)phenyl]furan?
The canonical SMILES for 2-[2-(4-chloro-3,5-dimethylphenoxy)-5-(trifluoromethyl)phenyl]furan is Cc1cc(Oc2ccc(C(F)(F)F)cc2-c2ccco2)cc(C)c1Cl.
What is the InChIKey of 2-[2-(4-chloro-3,5-dimethylphenoxy)-5-(trifluoromethyl)phenyl]furan?
The InChIKey is JMWHCNQQKGDIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3O2/c1-11-8-14(9-12(2)18(11)20)25-17-6-5-13(19(21,22)23)10-15(17)16-4-3-7-24-16/h3-10H,1-2H3.
What are the key properties of 2-[2-(4-chloro-3,5-dimethylphenoxy)-5-(trifluoromethyl)phenyl]furan?
2-[2-(4-chloro-3,5-dimethylphenoxy)-5-(trifluoromethyl)phenyl]furan has a molecular weight of 366.77 g/mol, XLogP of 7.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-3,5-dimethylphenoxy)-5-(trifluoromethyl)phenyl]furan is sourced from PubChem (CID 168524769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).