1-(3,3,3-trifluoropropyl)pyrrole

C7H8F3N — CID 63227154

IUPAC1-(3,3,3-trifluoropropyl)pyrrole
SMILESFC(F)(F)CCn1cccc1
InChIInChI=1S/C7H8F3N/c8-7(9,10)3-6-11-4-1-2-5-11/h1-2,4-5H,3,6H2
InChIKeyYAPYVTPLXVFCIB-UHFFFAOYSA-N
MW163.14 g/mol
LogP2.44
Rot. Bonds2

About 1-(3,3,3-trifluoropropyl)pyrrole

1-(3,3,3-trifluoropropyl)pyrrole (PubChem CID 63227154) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)pyrrole.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)pyrrole
PubChem CID63227154
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name1-(3,3,3-trifluoropropyl)pyrrole
SMILESFC(F)(F)CCn1cccc1
InChIInChI=1S/C7H8F3N/c8-7(9,10)3-6-11-4-1-2-5-11/h1-2,4-5H,3,6H2
InChIKeyYAPYVTPLXVFCIB-UHFFFAOYSA-N
XLogP2.44
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)pyrrole?
The IUPAC name of 1-(3,3,3-trifluoropropyl)pyrrole (CID 63227154) is 1-(3,3,3-trifluoropropyl)pyrrole.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)pyrrole?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)pyrrole is FC(F)(F)CCn1cccc1.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)pyrrole?
The InChIKey is YAPYVTPLXVFCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c8-7(9,10)3-6-11-4-1-2-5-11/h1-2,4-5H,3,6H2.
What are the key properties of 1-(3,3,3-trifluoropropyl)pyrrole?
1-(3,3,3-trifluoropropyl)pyrrole has a molecular weight of 163.14 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)pyrrole is sourced from PubChem (CID 63227154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).