5-(4-chlorophenyl)-4,4-difluoro-2-methylidene-3H-pyrrole

C11H8ClF2N — CID 25215621

IUPAC5-(4-chlorophenyl)-4,4-difluoro-2-methylidene-3H-pyrrole
SMILESC=C1CC(F)(F)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C11H8ClF2N/c1-7-6-11(13,14)10(15-7)8-2-4-9(12)5-3-8/h2-5H,1,6H2
InChIKeyGNBSWCRUAYLGCV-UHFFFAOYSA-N
MW227.64 g/mol
LogP3.68
Rot. Bonds1

About 5-(4-chlorophenyl)-4,4-difluoro-2-methylidene-3H-pyrrole

5-(4-chlorophenyl)-4,4-difluoro-2-methylidene-3H-pyrrole (PubChem CID 25215621) has the molecular formula C11H8ClF2N and a molecular weight of 227.64 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4,4-difluoro-2-methylidene-3H-pyrrole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4,4-difluoro-2-methylidene-3H-pyrrole
PubChem CID25215621
Molecular FormulaC11H8ClF2N
Molecular Weight227.64 g/mol
Exact Mass227.03
IUPAC Name5-(4-chlorophenyl)-4,4-difluoro-2-methylidene-3H-pyrrole
SMILESC=C1CC(F)(F)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C11H8ClF2N/c1-7-6-11(13,14)10(15-7)8-2-4-9(12)5-3-8/h2-5H,1,6H2
InChIKeyGNBSWCRUAYLGCV-UHFFFAOYSA-N
XLogP3.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.64
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4,4-difluoro-2-methylidene-3H-pyrrole?
The IUPAC name of 5-(4-chlorophenyl)-4,4-difluoro-2-methylidene-3H-pyrrole (CID 25215621) is 5-(4-chlorophenyl)-4,4-difluoro-2-methylidene-3H-pyrrole.
What is the SMILES notation for 5-(4-chlorophenyl)-4,4-difluoro-2-methylidene-3H-pyrrole?
The canonical SMILES for 5-(4-chlorophenyl)-4,4-difluoro-2-methylidene-3H-pyrrole is C=C1CC(F)(F)C(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 5-(4-chlorophenyl)-4,4-difluoro-2-methylidene-3H-pyrrole?
The InChIKey is GNBSWCRUAYLGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2N/c1-7-6-11(13,14)10(15-7)8-2-4-9(12)5-3-8/h2-5H,1,6H2.
What are the key properties of 5-(4-chlorophenyl)-4,4-difluoro-2-methylidene-3H-pyrrole?
5-(4-chlorophenyl)-4,4-difluoro-2-methylidene-3H-pyrrole has a molecular weight of 227.64 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4,4-difluoro-2-methylidene-3H-pyrrole is sourced from PubChem (CID 25215621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).