3,3-difluoropyrrole;hydrochloride

C4H4ClF2N — CID 139329885

IUPAC3,3-difluoropyrrole;hydrochloride
SMILESCl.FC1(F)C=CN=C1
InChIInChI=1S/C4H3F2N.ClH/c5-4(6)1-2-7-3-4;/h1-3H;1H
InChIKeyMWZJIKJUBOHZCJ-UHFFFAOYSA-N
MW139.53 g/mol
LogP1.64
Rot. Bonds

About 3,3-difluoropyrrole;hydrochloride

3,3-difluoropyrrole;hydrochloride (PubChem CID 139329885) has the molecular formula C4H4ClF2N and a molecular weight of 139.53 g/mol. Its IUPAC name is 3,3-difluoropyrrole;hydrochloride.

Molecular Properties

Compound Name3,3-difluoropyrrole;hydrochloride
PubChem CID139329885
Molecular FormulaC4H4ClF2N
Molecular Weight139.53 g/mol
Exact Mass139.00
IUPAC Name3,3-difluoropyrrole;hydrochloride
SMILESCl.FC1(F)C=CN=C1
InChIInChI=1S/C4H3F2N.ClH/c5-4(6)1-2-7-3-4;/h1-3H;1H
InChIKeyMWZJIKJUBOHZCJ-UHFFFAOYSA-N
XLogP1.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.53
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-Difluoropyrrole
CID 91281361
3,3-difluoro-4H-pyridine
CID 150230117
4,4-difluoro-3H-pyridine
CID 151381146
3,3-Difluoropyrrol-1-ium
CID 152484333
3-Fluoro-3-methylpyrrole
CID 154640931
4,4-difluoro-3H-pyridine;hydrochloride
CID 156900243
3,3,4-Trifluoropyrrole
CID 177949507

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoropyrrole;hydrochloride?
The IUPAC name of 3,3-difluoropyrrole;hydrochloride (CID 139329885) is 3,3-difluoropyrrole;hydrochloride.
What is the SMILES notation for 3,3-difluoropyrrole;hydrochloride?
The canonical SMILES for 3,3-difluoropyrrole;hydrochloride is Cl.FC1(F)C=CN=C1.
What is the InChIKey of 3,3-difluoropyrrole;hydrochloride?
The InChIKey is MWZJIKJUBOHZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F2N.ClH/c5-4(6)1-2-7-3-4;/h1-3H;1H.
What are the key properties of 3,3-difluoropyrrole;hydrochloride?
3,3-difluoropyrrole;hydrochloride has a molecular weight of 139.53 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropyrrole;hydrochloride is sourced from PubChem (CID 139329885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).