2-(2-fluoropropan-2-yl)-5-phenyl-3,4-dihydro-2H-pyrrole

C13H16FN — CID 162408005

IUPAC2-(2-fluoropropan-2-yl)-5-phenyl-3,4-dihydro-2H-pyrrole
SMILESCC(C)(F)C1CCC(c2ccccc2)=N1
InChIInChI=1S/C13H16FN/c1-13(2,14)12-9-8-11(15-12)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
InChIKeyTXCVVVYTHYHOCA-UHFFFAOYSA-N
MW205.28 g/mol
LogP3.39
Rot. Bonds2

About 2-(2-fluoropropan-2-yl)-5-phenyl-3,4-dihydro-2H-pyrrole

2-(2-fluoropropan-2-yl)-5-phenyl-3,4-dihydro-2H-pyrrole (PubChem CID 162408005) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-5-phenyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-5-phenyl-3,4-dihydro-2H-pyrrole
PubChem CID162408005
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name2-(2-fluoropropan-2-yl)-5-phenyl-3,4-dihydro-2H-pyrrole
SMILESCC(C)(F)C1CCC(c2ccccc2)=N1
InChIInChI=1S/C13H16FN/c1-13(2,14)12-9-8-11(15-12)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
InChIKeyTXCVVVYTHYHOCA-UHFFFAOYSA-N
XLogP3.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)-5-phenyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-(2-fluoropropan-2-yl)-5-phenyl-3,4-dihydro-2H-pyrrole (CID 162408005) is 2-(2-fluoropropan-2-yl)-5-phenyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-5-phenyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-5-phenyl-3,4-dihydro-2H-pyrrole is CC(C)(F)C1CCC(c2ccccc2)=N1.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-5-phenyl-3,4-dihydro-2H-pyrrole?
The InChIKey is TXCVVVYTHYHOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c1-13(2,14)12-9-8-11(15-12)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3.
What are the key properties of 2-(2-fluoropropan-2-yl)-5-phenyl-3,4-dihydro-2H-pyrrole?
2-(2-fluoropropan-2-yl)-5-phenyl-3,4-dihydro-2H-pyrrole has a molecular weight of 205.28 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)-5-phenyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 162408005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).