2,3-dihydro-1H-pyrrole;fluoroform

C5H8F3N — CID 157295690

IUPAC2,3-dihydro-1H-pyrrole;fluoroform
SMILESC1=CNCC1.FC(F)F
InChIInChI=1S/C4H7N.CHF3/c1-2-4-5-3-1;2-1(3)4/h1,3,5H,2,4H2;1H
InChIKeyBBHYOJQDKABBNZ-UHFFFAOYSA-N
MW139.12 g/mol
LogP1.67
Rot. Bonds

About 2,3-dihydro-1H-pyrrole;fluoroform

2,3-dihydro-1H-pyrrole;fluoroform (PubChem CID 157295690) has the molecular formula C5H8F3N and a molecular weight of 139.12 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrrole;fluoroform.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrrole;fluoroform
PubChem CID157295690
Molecular FormulaC5H8F3N
Molecular Weight139.12 g/mol
Exact Mass139.06
IUPAC Name2,3-dihydro-1H-pyrrole;fluoroform
SMILESC1=CNCC1.FC(F)F
InChIInChI=1S/C4H7N.CHF3/c1-2-4-5-3-1;2-1(3)4/h1,3,5H,2,4H2;1H
InChIKeyBBHYOJQDKABBNZ-UHFFFAOYSA-N
XLogP1.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.12
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrrole;fluoroform?
The IUPAC name of 2,3-dihydro-1H-pyrrole;fluoroform (CID 157295690) is 2,3-dihydro-1H-pyrrole;fluoroform.
What is the SMILES notation for 2,3-dihydro-1H-pyrrole;fluoroform?
The canonical SMILES for 2,3-dihydro-1H-pyrrole;fluoroform is C1=CNCC1.FC(F)F.
What is the InChIKey of 2,3-dihydro-1H-pyrrole;fluoroform?
The InChIKey is BBHYOJQDKABBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N.CHF3/c1-2-4-5-3-1;2-1(3)4/h1,3,5H,2,4H2;1H.
What are the key properties of 2,3-dihydro-1H-pyrrole;fluoroform?
2,3-dihydro-1H-pyrrole;fluoroform has a molecular weight of 139.12 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrrole;fluoroform is sourced from PubChem (CID 157295690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).