4-ethyl-5-(2-fluoropropan-2-yl)-2H-pyrrole

C9H14FN — CID 154987793

IUPAC4-ethyl-5-(2-fluoropropan-2-yl)-2H-pyrrole
SMILESCCC1=CCN=C1C(C)(C)F
InChIInChI=1S/C9H14FN/c1-4-7-5-6-11-8(7)9(2,3)10/h5H,4,6H2,1-3H3
InChIKeyQCBQTCZTSUCKFV-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.53
Rot. Bonds2

About 4-ethyl-5-(2-fluoropropan-2-yl)-2H-pyrrole

4-ethyl-5-(2-fluoropropan-2-yl)-2H-pyrrole (PubChem CID 154987793) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 4-ethyl-5-(2-fluoropropan-2-yl)-2H-pyrrole.

Molecular Properties

Compound Name4-ethyl-5-(2-fluoropropan-2-yl)-2H-pyrrole
PubChem CID154987793
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name4-ethyl-5-(2-fluoropropan-2-yl)-2H-pyrrole
SMILESCCC1=CCN=C1C(C)(C)F
InChIInChI=1S/C9H14FN/c1-4-7-5-6-11-8(7)9(2,3)10/h5H,4,6H2,1-3H3
InChIKeyQCBQTCZTSUCKFV-UHFFFAOYSA-N
XLogP2.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(2-fluoropropan-2-yl)-2H-pyrrole?
The IUPAC name of 4-ethyl-5-(2-fluoropropan-2-yl)-2H-pyrrole (CID 154987793) is 4-ethyl-5-(2-fluoropropan-2-yl)-2H-pyrrole.
What is the SMILES notation for 4-ethyl-5-(2-fluoropropan-2-yl)-2H-pyrrole?
The canonical SMILES for 4-ethyl-5-(2-fluoropropan-2-yl)-2H-pyrrole is CCC1=CCN=C1C(C)(C)F.
What is the InChIKey of 4-ethyl-5-(2-fluoropropan-2-yl)-2H-pyrrole?
The InChIKey is QCBQTCZTSUCKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN/c1-4-7-5-6-11-8(7)9(2,3)10/h5H,4,6H2,1-3H3.
What are the key properties of 4-ethyl-5-(2-fluoropropan-2-yl)-2H-pyrrole?
4-ethyl-5-(2-fluoropropan-2-yl)-2H-pyrrole has a molecular weight of 155.22 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(2-fluoropropan-2-yl)-2H-pyrrole is sourced from PubChem (CID 154987793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).