1-(1,1,2,3,3,3-hexafluoropropyl)pyrrole

C7H5F6N — CID 24880292

IUPAC1-(1,1,2,3,3,3-hexafluoropropyl)pyrrole
SMILESFC(C(F)(F)F)C(F)(F)n1cccc1
InChIInChI=1S/C7H5F6N/c8-5(6(9,10)11)7(12,13)14-3-1-2-4-14/h1-5H
InChIKeyMJYVASYHNINIGW-UHFFFAOYSA-N
MW217.11 g/mol
LogP2.94
Rot. Bonds2

About 1-(1,1,2,3,3,3-hexafluoropropyl)pyrrole

1-(1,1,2,3,3,3-hexafluoropropyl)pyrrole (PubChem CID 24880292) has the molecular formula C7H5F6N and a molecular weight of 217.11 g/mol. Its IUPAC name is 1-(1,1,2,3,3,3-hexafluoropropyl)pyrrole.

Molecular Properties

Compound Name1-(1,1,2,3,3,3-hexafluoropropyl)pyrrole
PubChem CID24880292
Molecular FormulaC7H5F6N
Molecular Weight217.11 g/mol
Exact Mass217.03
IUPAC Name1-(1,1,2,3,3,3-hexafluoropropyl)pyrrole
SMILESFC(C(F)(F)F)C(F)(F)n1cccc1
InChIInChI=1S/C7H5F6N/c8-5(6(9,10)11)7(12,13)14-3-1-2-4-14/h1-5H
InChIKeyMJYVASYHNINIGW-UHFFFAOYSA-N
XLogP2.94
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.11
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,3,3,3-hexafluoropropyl)pyrrole?
The IUPAC name of 1-(1,1,2,3,3,3-hexafluoropropyl)pyrrole (CID 24880292) is 1-(1,1,2,3,3,3-hexafluoropropyl)pyrrole.
What is the SMILES notation for 1-(1,1,2,3,3,3-hexafluoropropyl)pyrrole?
The canonical SMILES for 1-(1,1,2,3,3,3-hexafluoropropyl)pyrrole is FC(C(F)(F)F)C(F)(F)n1cccc1.
What is the InChIKey of 1-(1,1,2,3,3,3-hexafluoropropyl)pyrrole?
The InChIKey is MJYVASYHNINIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F6N/c8-5(6(9,10)11)7(12,13)14-3-1-2-4-14/h1-5H.
What are the key properties of 1-(1,1,2,3,3,3-hexafluoropropyl)pyrrole?
1-(1,1,2,3,3,3-hexafluoropropyl)pyrrole has a molecular weight of 217.11 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,3,3,3-hexafluoropropyl)pyrrole is sourced from PubChem (CID 24880292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).