1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrole

C13H13F2NO — CID 2374190

IUPAC1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H13F2NO/c1-9-3-4-10(2)16(9)11-5-7-12(8-6-11)17-13(14)15/h3-8,13H,1-2H3
InChIKeyWBTZBDMJWKIXKG-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.70
Rot. Bonds3

About 1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrole

1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrole (PubChem CID 2374190) has the molecular formula C13H13F2NO and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrole
PubChem CID2374190
Molecular FormulaC13H13F2NO
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H13F2NO/c1-9-3-4-10(2)16(9)11-5-7-12(8-6-11)17-13(14)15/h3-8,13H,1-2H3
InChIKeyWBTZBDMJWKIXKG-UHFFFAOYSA-N
XLogP3.70
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.70
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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Related Compounds

2-Methoxy-6-(trifluoromethyl)pyridine
CID 46739474
1-(4-Methoxyphenyl)-1H-pyrrole
CID 272427
3-(2,5-Dimethyl-pyrrol-1-yl)-4-methoxy-phenylamine
CID 776878
[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenoxy]acetic acid
CID 776871
4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenol
CID 1283353
1-(4-methoxyphenyl)-2-[(E)-2-nitroethenyl]-1H-pyrrole
CID 956456
1-(4-Methoxyphenyl)-2,5-dimethyl-1H-pyrrole
CID 608518
2,5-Dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrrole
CID 2741190
1-[2-(Difluoromethoxy)phenyl]pyrrole
CID 2100735
2-({1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-2-yl}methylene)malononitrile
CID 2741862
2-[1-(4-Methoxyphenyl)pyrrol-2-yl]ethanamine
CID 44388919
1-(4-Methoxyphenyl)pyridinium
CID 122157

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrole?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrole (CID 2374190) is 1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrole.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrole?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrole is Cc1ccc(C)n1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrole?
The InChIKey is WBTZBDMJWKIXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO/c1-9-3-4-10(2)16(9)11-5-7-12(8-6-11)17-13(14)15/h3-8,13H,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrole?
1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrole has a molecular weight of 237.25 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrole is sourced from PubChem (CID 2374190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).