1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydropyrrole

C7H8F5N — CID 53441543

IUPAC1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydropyrrole
SMILESCN1CCC=C1C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F5N/c1-13-4-2-3-5(13)6(8,9)7(10,11)12/h3H,2,4H2,1H3
InChIKeyFXSGPEJIRANCTL-UHFFFAOYSA-N
MW201.14 g/mol
LogP2.40
Rot. Bonds1

About 1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydropyrrole

1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydropyrrole (PubChem CID 53441543) has the molecular formula C7H8F5N and a molecular weight of 201.14 g/mol. Its IUPAC name is 1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydropyrrole
PubChem CID53441543
Molecular FormulaC7H8F5N
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Name1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydropyrrole
SMILESCN1CCC=C1C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F5N/c1-13-4-2-3-5(13)6(8,9)7(10,11)12/h3H,2,4H2,1H3
InChIKeyFXSGPEJIRANCTL-UHFFFAOYSA-N
XLogP2.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydropyrrole?
The IUPAC name of 1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydropyrrole (CID 53441543) is 1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydropyrrole.
What is the SMILES notation for 1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydropyrrole?
The canonical SMILES for 1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydropyrrole is CN1CCC=C1C(F)(F)C(F)(F)F.
What is the InChIKey of 1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydropyrrole?
The InChIKey is FXSGPEJIRANCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F5N/c1-13-4-2-3-5(13)6(8,9)7(10,11)12/h3H,2,4H2,1H3.
What are the key properties of 1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydropyrrole?
1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydropyrrole has a molecular weight of 201.14 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydropyrrole is sourced from PubChem (CID 53441543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).