3,4-difluoro-2,5-dimethyl-1H-pyrrole

C6H7F2N — CID 89253678

IUPAC3,4-difluoro-2,5-dimethyl-1H-pyrrole
SMILESCc1[nH]c(C)c(F)c1F
InChIInChI=1S/C6H7F2N/c1-3-5(7)6(8)4(2)9-3/h9H,1-2H3
InChIKeyRHEICRHMBQHMQF-UHFFFAOYSA-N
MW131.12 g/mol
LogP1.91
Rot. Bonds

About 3,4-difluoro-2,5-dimethyl-1H-pyrrole

3,4-difluoro-2,5-dimethyl-1H-pyrrole (PubChem CID 89253678) has the molecular formula C6H7F2N and a molecular weight of 131.12 g/mol. Its IUPAC name is 3,4-difluoro-2,5-dimethyl-1H-pyrrole.

Molecular Properties

Compound Name3,4-difluoro-2,5-dimethyl-1H-pyrrole
PubChem CID89253678
Molecular FormulaC6H7F2N
Molecular Weight131.12 g/mol
Exact Mass131.05
IUPAC Name3,4-difluoro-2,5-dimethyl-1H-pyrrole
SMILESCc1[nH]c(C)c(F)c1F
InChIInChI=1S/C6H7F2N/c1-3-5(7)6(8)4(2)9-3/h9H,1-2H3
InChIKeyRHEICRHMBQHMQF-UHFFFAOYSA-N
XLogP1.91
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.12
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2,5-dimethyl-1H-pyrrole?
The IUPAC name of 3,4-difluoro-2,5-dimethyl-1H-pyrrole (CID 89253678) is 3,4-difluoro-2,5-dimethyl-1H-pyrrole.
What is the SMILES notation for 3,4-difluoro-2,5-dimethyl-1H-pyrrole?
The canonical SMILES for 3,4-difluoro-2,5-dimethyl-1H-pyrrole is Cc1[nH]c(C)c(F)c1F.
What is the InChIKey of 3,4-difluoro-2,5-dimethyl-1H-pyrrole?
The InChIKey is RHEICRHMBQHMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N/c1-3-5(7)6(8)4(2)9-3/h9H,1-2H3.
What are the key properties of 3,4-difluoro-2,5-dimethyl-1H-pyrrole?
3,4-difluoro-2,5-dimethyl-1H-pyrrole has a molecular weight of 131.12 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2,5-dimethyl-1H-pyrrole is sourced from PubChem (CID 89253678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).