5-(1-fluoroethyl)-4-methyl-2H-pyrrole

C7H10FN — CID 160626280

IUPAC5-(1-fluoroethyl)-4-methyl-2H-pyrrole
SMILESCC1=CCN=C1C(C)F
InChIInChI=1S/C7H10FN/c1-5-3-4-9-7(5)6(2)8/h3,6H,4H2,1-2H3
InChIKeyUIOMDSFXXSTRDC-UHFFFAOYSA-N
MW127.16 g/mol
LogP1.75
Rot. Bonds1

About 5-(1-fluoroethyl)-4-methyl-2H-pyrrole

5-(1-fluoroethyl)-4-methyl-2H-pyrrole (PubChem CID 160626280) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 5-(1-fluoroethyl)-4-methyl-2H-pyrrole.

Molecular Properties

Compound Name5-(1-fluoroethyl)-4-methyl-2H-pyrrole
PubChem CID160626280
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name5-(1-fluoroethyl)-4-methyl-2H-pyrrole
SMILESCC1=CCN=C1C(C)F
InChIInChI=1S/C7H10FN/c1-5-3-4-9-7(5)6(2)8/h3,6H,4H2,1-2H3
InChIKeyUIOMDSFXXSTRDC-UHFFFAOYSA-N
XLogP1.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoroethyl)-4-methyl-2H-pyrrole?
The IUPAC name of 5-(1-fluoroethyl)-4-methyl-2H-pyrrole (CID 160626280) is 5-(1-fluoroethyl)-4-methyl-2H-pyrrole.
What is the SMILES notation for 5-(1-fluoroethyl)-4-methyl-2H-pyrrole?
The canonical SMILES for 5-(1-fluoroethyl)-4-methyl-2H-pyrrole is CC1=CCN=C1C(C)F.
What is the InChIKey of 5-(1-fluoroethyl)-4-methyl-2H-pyrrole?
The InChIKey is UIOMDSFXXSTRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-5-3-4-9-7(5)6(2)8/h3,6H,4H2,1-2H3.
What are the key properties of 5-(1-fluoroethyl)-4-methyl-2H-pyrrole?
5-(1-fluoroethyl)-4-methyl-2H-pyrrole has a molecular weight of 127.16 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoroethyl)-4-methyl-2H-pyrrole is sourced from PubChem (CID 160626280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).