2-chloro-5-(2,6-difluoro-4-prop-2-enoxyphenyl)thiophene

C13H9ClF2OS — CID 118879720

IUPAC2-chloro-5-(2,6-difluoro-4-prop-2-enoxyphenyl)thiophene
SMILESC=CCOc1cc(F)c(-c2ccc(Cl)s2)c(F)c1
InChIInChI=1S/C13H9ClF2OS/c1-2-5-17-8-6-9(15)13(10(16)7-8)11-3-4-12(14)18-11/h2-4,6-7H,1,5H2
InChIKeyDFYGJPOEOVQCDM-UHFFFAOYSA-N
MW286.73 g/mol
LogP4.91
Rot. Bonds4

About 2-chloro-5-(2,6-difluoro-4-prop-2-enoxyphenyl)thiophene

2-chloro-5-(2,6-difluoro-4-prop-2-enoxyphenyl)thiophene (PubChem CID 118879720) has the molecular formula C13H9ClF2OS and a molecular weight of 286.73 g/mol. Its IUPAC name is 2-chloro-5-(2,6-difluoro-4-prop-2-enoxyphenyl)thiophene.

Molecular Properties

Compound Name2-chloro-5-(2,6-difluoro-4-prop-2-enoxyphenyl)thiophene
PubChem CID118879720
Molecular FormulaC13H9ClF2OS
Molecular Weight286.73 g/mol
Exact Mass286.00
IUPAC Name2-chloro-5-(2,6-difluoro-4-prop-2-enoxyphenyl)thiophene
SMILESC=CCOc1cc(F)c(-c2ccc(Cl)s2)c(F)c1
InChIInChI=1S/C13H9ClF2OS/c1-2-5-17-8-6-9(15)13(10(16)7-8)11-3-4-12(14)18-11/h2-4,6-7H,1,5H2
InChIKeyDFYGJPOEOVQCDM-UHFFFAOYSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,6-difluoro-4-prop-2-enoxyphenyl)thiophene?
The IUPAC name of 2-chloro-5-(2,6-difluoro-4-prop-2-enoxyphenyl)thiophene (CID 118879720) is 2-chloro-5-(2,6-difluoro-4-prop-2-enoxyphenyl)thiophene.
What is the SMILES notation for 2-chloro-5-(2,6-difluoro-4-prop-2-enoxyphenyl)thiophene?
The canonical SMILES for 2-chloro-5-(2,6-difluoro-4-prop-2-enoxyphenyl)thiophene is C=CCOc1cc(F)c(-c2ccc(Cl)s2)c(F)c1.
What is the InChIKey of 2-chloro-5-(2,6-difluoro-4-prop-2-enoxyphenyl)thiophene?
The InChIKey is DFYGJPOEOVQCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2OS/c1-2-5-17-8-6-9(15)13(10(16)7-8)11-3-4-12(14)18-11/h2-4,6-7H,1,5H2.
What are the key properties of 2-chloro-5-(2,6-difluoro-4-prop-2-enoxyphenyl)thiophene?
2-chloro-5-(2,6-difluoro-4-prop-2-enoxyphenyl)thiophene has a molecular weight of 286.73 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,6-difluoro-4-prop-2-enoxyphenyl)thiophene is sourced from PubChem (CID 118879720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).