3,4-difluoro-1H-pyrrole

C4H3F2N — CID 11804690

IUPAC3,4-difluoro-1H-pyrrole
SMILESFc1c[nH]cc1F
InChIInChI=1S/C4H3F2N/c5-3-1-7-2-4(3)6/h1-2,7H
InChIKeyBMJOPWQYDZAFDZ-UHFFFAOYSA-N
MW103.07 g/mol
LogP1.29
Rot. Bonds

About 3,4-difluoro-1H-pyrrole

3,4-difluoro-1H-pyrrole (PubChem CID 11804690) has the molecular formula C4H3F2N and a molecular weight of 103.07 g/mol. Its IUPAC name is 3,4-difluoro-1H-pyrrole.

Molecular Properties

Compound Name3,4-difluoro-1H-pyrrole
PubChem CID11804690
Molecular FormulaC4H3F2N
Molecular Weight103.07 g/mol
Exact Mass103.02
IUPAC Name3,4-difluoro-1H-pyrrole
SMILESFc1c[nH]cc1F
InChIInChI=1S/C4H3F2N/c5-3-1-7-2-4(3)6/h1-2,7H
InChIKeyBMJOPWQYDZAFDZ-UHFFFAOYSA-N
XLogP1.29
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.07
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-1H-pyrrole?
The IUPAC name of 3,4-difluoro-1H-pyrrole (CID 11804690) is 3,4-difluoro-1H-pyrrole.
What is the SMILES notation for 3,4-difluoro-1H-pyrrole?
The canonical SMILES for 3,4-difluoro-1H-pyrrole is Fc1c[nH]cc1F.
What is the InChIKey of 3,4-difluoro-1H-pyrrole?
The InChIKey is BMJOPWQYDZAFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F2N/c5-3-1-7-2-4(3)6/h1-2,7H.
What are the key properties of 3,4-difluoro-1H-pyrrole?
3,4-difluoro-1H-pyrrole has a molecular weight of 103.07 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-1H-pyrrole is sourced from PubChem (CID 11804690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).