3-(1,3-difluoro-2-methylpropan-2-yl)-5-propan-2-yl-2H-pyrrole

C11H17F2N — CID 134299333

IUPAC3-(1,3-difluoro-2-methylpropan-2-yl)-5-propan-2-yl-2H-pyrrole
SMILESCC(C)C1=NCC(C(C)(CF)CF)=C1
InChIInChI=1S/C11H17F2N/c1-8(2)10-4-9(5-14-10)11(3,6-12)7-13/h4,8H,5-7H2,1-3H3
InChIKeyFJSOUQWTELZXCR-UHFFFAOYSA-N
MW201.26 g/mol
LogP2.97
Rot. Bonds4

About 3-(1,3-difluoro-2-methylpropan-2-yl)-5-propan-2-yl-2H-pyrrole

3-(1,3-difluoro-2-methylpropan-2-yl)-5-propan-2-yl-2H-pyrrole (PubChem CID 134299333) has the molecular formula C11H17F2N and a molecular weight of 201.26 g/mol. Its IUPAC name is 3-(1,3-difluoro-2-methylpropan-2-yl)-5-propan-2-yl-2H-pyrrole.

Molecular Properties

Compound Name3-(1,3-difluoro-2-methylpropan-2-yl)-5-propan-2-yl-2H-pyrrole
PubChem CID134299333
Molecular FormulaC11H17F2N
Molecular Weight201.26 g/mol
Exact Mass201.13
IUPAC Name3-(1,3-difluoro-2-methylpropan-2-yl)-5-propan-2-yl-2H-pyrrole
SMILESCC(C)C1=NCC(C(C)(CF)CF)=C1
InChIInChI=1S/C11H17F2N/c1-8(2)10-4-9(5-14-10)11(3,6-12)7-13/h4,8H,5-7H2,1-3H3
InChIKeyFJSOUQWTELZXCR-UHFFFAOYSA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-difluoro-2-methylpropan-2-yl)-5-propan-2-yl-2H-pyrrole?
The IUPAC name of 3-(1,3-difluoro-2-methylpropan-2-yl)-5-propan-2-yl-2H-pyrrole (CID 134299333) is 3-(1,3-difluoro-2-methylpropan-2-yl)-5-propan-2-yl-2H-pyrrole.
What is the SMILES notation for 3-(1,3-difluoro-2-methylpropan-2-yl)-5-propan-2-yl-2H-pyrrole?
The canonical SMILES for 3-(1,3-difluoro-2-methylpropan-2-yl)-5-propan-2-yl-2H-pyrrole is CC(C)C1=NCC(C(C)(CF)CF)=C1.
What is the InChIKey of 3-(1,3-difluoro-2-methylpropan-2-yl)-5-propan-2-yl-2H-pyrrole?
The InChIKey is FJSOUQWTELZXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N/c1-8(2)10-4-9(5-14-10)11(3,6-12)7-13/h4,8H,5-7H2,1-3H3.
What are the key properties of 3-(1,3-difluoro-2-methylpropan-2-yl)-5-propan-2-yl-2H-pyrrole?
3-(1,3-difluoro-2-methylpropan-2-yl)-5-propan-2-yl-2H-pyrrole has a molecular weight of 201.26 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-difluoro-2-methylpropan-2-yl)-5-propan-2-yl-2H-pyrrole is sourced from PubChem (CID 134299333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).