(2R)-2-fluoro-5-[[(2R)-2-fluoro-2H-pyrrol-5-yl]methyl]-2H-pyrrole

C9H8F2N2 — CID 101378278

IUPAC(2R)-2-fluoro-5-[[(2R)-2-fluoro-2H-pyrrol-5-yl]methyl]-2H-pyrrole
SMILESF[C@@H]1C=CC(CC2=N[C@H](F)C=C2)=N1
InChIInChI=1S/C9H8F2N2/c10-8-3-1-6(12-8)5-7-2-4-9(11)13-7/h1-4,8-9H,5H2/t8-,9-/m0/s1
InChIKeyLOFWMZJROXXDJL-IUCAKERBSA-N
MW182.17 g/mol
LogP1.99
Rot. Bonds2

About (2R)-2-fluoro-5-[[(2R)-2-fluoro-2H-pyrrol-5-yl]methyl]-2H-pyrrole

(2R)-2-fluoro-5-[[(2R)-2-fluoro-2H-pyrrol-5-yl]methyl]-2H-pyrrole (PubChem CID 101378278) has the molecular formula C9H8F2N2 and a molecular weight of 182.17 g/mol. Its IUPAC name is (2R)-2-fluoro-5-[[(2R)-2-fluoro-2H-pyrrol-5-yl]methyl]-2H-pyrrole.

Molecular Properties

Compound Name(2R)-2-fluoro-5-[[(2R)-2-fluoro-2H-pyrrol-5-yl]methyl]-2H-pyrrole
PubChem CID101378278
Molecular FormulaC9H8F2N2
Molecular Weight182.17 g/mol
Exact Mass182.07
IUPAC Name(2R)-2-fluoro-5-[[(2R)-2-fluoro-2H-pyrrol-5-yl]methyl]-2H-pyrrole
SMILESF[C@@H]1C=CC(CC2=N[C@H](F)C=C2)=N1
InChIInChI=1S/C9H8F2N2/c10-8-3-1-6(12-8)5-7-2-4-9(11)13-7/h1-4,8-9H,5H2/t8-,9-/m0/s1
InChIKeyLOFWMZJROXXDJL-IUCAKERBSA-N
XLogP1.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

5-(6-fluorohexyl)-2H-pyrrole
CID 54509639
5-(2,2-difluoroethyl)-2H-pyrrole
CID 142793317
(2S)-2-(trifluoromethyl)-5-[[(2S)-2-(trifluoromethyl)-2H-pyrrol-5-yl]methyl]-2H-pyrrole
CID 101378275
5-but-3-enyl-3-(trifluoromethyl)-2H-pyrrole
CID 172271509
N-prop-2-enylcyclopent-3-en-1-imine
CID 57285270
N-prop-2-enylcyclopent-2-en-1-imine
CID 123210425
(2R)-2-methyl-5-[[(2R)-2-methyl-2H-pyrrol-5-yl]methyl]-2H-pyrrole
CID 101378274

Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoro-5-[[(2R)-2-fluoro-2H-pyrrol-5-yl]methyl]-2H-pyrrole?
The IUPAC name of (2R)-2-fluoro-5-[[(2R)-2-fluoro-2H-pyrrol-5-yl]methyl]-2H-pyrrole (CID 101378278) is (2R)-2-fluoro-5-[[(2R)-2-fluoro-2H-pyrrol-5-yl]methyl]-2H-pyrrole.
What is the SMILES notation for (2R)-2-fluoro-5-[[(2R)-2-fluoro-2H-pyrrol-5-yl]methyl]-2H-pyrrole?
The canonical SMILES for (2R)-2-fluoro-5-[[(2R)-2-fluoro-2H-pyrrol-5-yl]methyl]-2H-pyrrole is F[C@@H]1C=CC(CC2=N[C@H](F)C=C2)=N1.
What is the InChIKey of (2R)-2-fluoro-5-[[(2R)-2-fluoro-2H-pyrrol-5-yl]methyl]-2H-pyrrole?
The InChIKey is LOFWMZJROXXDJL-IUCAKERBSA-N. The full InChI is InChI=1S/C9H8F2N2/c10-8-3-1-6(12-8)5-7-2-4-9(11)13-7/h1-4,8-9H,5H2/t8-,9-/m0/s1.
What are the key properties of (2R)-2-fluoro-5-[[(2R)-2-fluoro-2H-pyrrol-5-yl]methyl]-2H-pyrrole?
(2R)-2-fluoro-5-[[(2R)-2-fluoro-2H-pyrrol-5-yl]methyl]-2H-pyrrole has a molecular weight of 182.17 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-5-[[(2R)-2-fluoro-2H-pyrrol-5-yl]methyl]-2H-pyrrole is sourced from PubChem (CID 101378278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).