2-[(E)-2-bromoethenyl]-5-[4-chloro-3-(trifluoromethyl)phenyl]furan

C13H7BrClF3O — CID 86670239

IUPAC2-[(E)-2-bromoethenyl]-5-[4-chloro-3-(trifluoromethyl)phenyl]furan
SMILESFC(F)(F)c1cc(-c2ccc(/C=C/Br)o2)ccc1Cl
InChIInChI=1S/C13H7BrClF3O/c14-6-5-9-2-4-12(19-9)8-1-3-11(15)10(7-8)13(16,17)18/h1-7H/b6-5+
InChIKeyMBELPOVVTXALPR-AATRIKPKSA-N
MW351.55 g/mol
LogP5.98
Rot. Bonds2

About 2-[(E)-2-bromoethenyl]-5-[4-chloro-3-(trifluoromethyl)phenyl]furan

2-[(E)-2-bromoethenyl]-5-[4-chloro-3-(trifluoromethyl)phenyl]furan (PubChem CID 86670239) has the molecular formula C13H7BrClF3O and a molecular weight of 351.55 g/mol. Its IUPAC name is 2-[(E)-2-bromoethenyl]-5-[4-chloro-3-(trifluoromethyl)phenyl]furan.

Molecular Properties

Compound Name2-[(E)-2-bromoethenyl]-5-[4-chloro-3-(trifluoromethyl)phenyl]furan
PubChem CID86670239
Molecular FormulaC13H7BrClF3O
Molecular Weight351.55 g/mol
Exact Mass349.93
IUPAC Name2-[(E)-2-bromoethenyl]-5-[4-chloro-3-(trifluoromethyl)phenyl]furan
SMILESFC(F)(F)c1cc(-c2ccc(/C=C/Br)o2)ccc1Cl
InChIInChI=1S/C13H7BrClF3O/c14-6-5-9-2-4-12(19-9)8-1-3-11(15)10(7-8)13(16,17)18/h1-7H/b6-5+
InChIKeyMBELPOVVTXALPR-AATRIKPKSA-N
XLogP5.98
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.55
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-bromoethenyl]-5-[4-chloro-3-(trifluoromethyl)phenyl]furan?
The IUPAC name of 2-[(E)-2-bromoethenyl]-5-[4-chloro-3-(trifluoromethyl)phenyl]furan (CID 86670239) is 2-[(E)-2-bromoethenyl]-5-[4-chloro-3-(trifluoromethyl)phenyl]furan.
What is the SMILES notation for 2-[(E)-2-bromoethenyl]-5-[4-chloro-3-(trifluoromethyl)phenyl]furan?
The canonical SMILES for 2-[(E)-2-bromoethenyl]-5-[4-chloro-3-(trifluoromethyl)phenyl]furan is FC(F)(F)c1cc(-c2ccc(/C=C/Br)o2)ccc1Cl.
What is the InChIKey of 2-[(E)-2-bromoethenyl]-5-[4-chloro-3-(trifluoromethyl)phenyl]furan?
The InChIKey is MBELPOVVTXALPR-AATRIKPKSA-N. The full InChI is InChI=1S/C13H7BrClF3O/c14-6-5-9-2-4-12(19-9)8-1-3-11(15)10(7-8)13(16,17)18/h1-7H/b6-5+.
What are the key properties of 2-[(E)-2-bromoethenyl]-5-[4-chloro-3-(trifluoromethyl)phenyl]furan?
2-[(E)-2-bromoethenyl]-5-[4-chloro-3-(trifluoromethyl)phenyl]furan has a molecular weight of 351.55 g/mol, XLogP of 5.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-bromoethenyl]-5-[4-chloro-3-(trifluoromethyl)phenyl]furan is sourced from PubChem (CID 86670239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).