1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-2,5-dimethylpyrrole

C19H17F2NO — CID 22137973

IUPAC1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1-c1ccc(OCc2ccc(F)cc2)cc1F
InChIInChI=1S/C19H17F2NO/c1-13-3-4-14(2)22(13)19-10-9-17(11-18(19)21)23-12-15-5-7-16(20)8-6-15/h3-11H,12H2,1-2H3
InChIKeyFMRAFBDSNYVDIE-UHFFFAOYSA-N
MW313.35 g/mol
LogP4.95
Rot. Bonds4

About 1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-2,5-dimethylpyrrole

1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-2,5-dimethylpyrrole (PubChem CID 22137973) has the molecular formula C19H17F2NO and a molecular weight of 313.35 g/mol. Its IUPAC name is 1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-2,5-dimethylpyrrole
PubChem CID22137973
Molecular FormulaC19H17F2NO
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1-c1ccc(OCc2ccc(F)cc2)cc1F
InChIInChI=1S/C19H17F2NO/c1-13-3-4-14(2)22(13)19-10-9-17(11-18(19)21)23-12-15-5-7-16(20)8-6-15/h3-11H,12H2,1-2H3
InChIKeyFMRAFBDSNYVDIE-UHFFFAOYSA-N
XLogP4.95
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-2,5-dimethylpyrrole?
The IUPAC name of 1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-2,5-dimethylpyrrole (CID 22137973) is 1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-2,5-dimethylpyrrole.
What is the SMILES notation for 1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-2,5-dimethylpyrrole?
The canonical SMILES for 1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-2,5-dimethylpyrrole is Cc1ccc(C)n1-c1ccc(OCc2ccc(F)cc2)cc1F.
What is the InChIKey of 1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-2,5-dimethylpyrrole?
The InChIKey is FMRAFBDSNYVDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO/c1-13-3-4-14(2)22(13)19-10-9-17(11-18(19)21)23-12-15-5-7-16(20)8-6-15/h3-11H,12H2,1-2H3.
What are the key properties of 1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-2,5-dimethylpyrrole?
1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-2,5-dimethylpyrrole has a molecular weight of 313.35 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-2,5-dimethylpyrrole is sourced from PubChem (CID 22137973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).