3-chloro-1-fluoropyrrole

C4H3ClFN — CID 142777485

IUPAC3-chloro-1-fluoropyrrole
SMILESFn1ccc(Cl)c1
InChIInChI=1S/C4H3ClFN/c5-4-1-2-7(6)3-4/h1-3H
InChIKeyWIPAJMPRAMEHGB-UHFFFAOYSA-N
MW119.53 g/mol
LogP1.87
Rot. Bonds

About 3-chloro-1-fluoropyrrole

3-chloro-1-fluoropyrrole (PubChem CID 142777485) has the molecular formula C4H3ClFN and a molecular weight of 119.53 g/mol. Its IUPAC name is 3-chloro-1-fluoropyrrole.

Molecular Properties

Compound Name3-chloro-1-fluoropyrrole
PubChem CID142777485
Molecular FormulaC4H3ClFN
Molecular Weight119.53 g/mol
Exact Mass118.99
IUPAC Name3-chloro-1-fluoropyrrole
SMILESFn1ccc(Cl)c1
InChIInChI=1S/C4H3ClFN/c5-4-1-2-7(6)3-4/h1-3H
InChIKeyWIPAJMPRAMEHGB-UHFFFAOYSA-N
XLogP1.87
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.53
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-fluoropyrrole?
The IUPAC name of 3-chloro-1-fluoropyrrole (CID 142777485) is 3-chloro-1-fluoropyrrole.
What is the SMILES notation for 3-chloro-1-fluoropyrrole?
The canonical SMILES for 3-chloro-1-fluoropyrrole is Fn1ccc(Cl)c1.
What is the InChIKey of 3-chloro-1-fluoropyrrole?
The InChIKey is WIPAJMPRAMEHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClFN/c5-4-1-2-7(6)3-4/h1-3H.
What are the key properties of 3-chloro-1-fluoropyrrole?
3-chloro-1-fluoropyrrole has a molecular weight of 119.53 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-fluoropyrrole is sourced from PubChem (CID 142777485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).