4-fluoro-5-propan-2-yl-2H-pyrrole

C7H10FN — CID 159292526

IUPAC4-fluoro-5-propan-2-yl-2H-pyrrole
SMILESCC(C)C1=NCC=C1F
InChIInChI=1S/C7H10FN/c1-5(2)7-6(8)3-4-9-7/h3,5H,4H2,1-2H3
InChIKeyUULDZOFOCHPBCU-UHFFFAOYSA-N
MW127.16 g/mol
LogP1.95
Rot. Bonds1

About 4-fluoro-5-propan-2-yl-2H-pyrrole

4-fluoro-5-propan-2-yl-2H-pyrrole (PubChem CID 159292526) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 4-fluoro-5-propan-2-yl-2H-pyrrole.

Molecular Properties

Compound Name4-fluoro-5-propan-2-yl-2H-pyrrole
PubChem CID159292526
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name4-fluoro-5-propan-2-yl-2H-pyrrole
SMILESCC(C)C1=NCC=C1F
InChIInChI=1S/C7H10FN/c1-5(2)7-6(8)3-4-9-7/h3,5H,4H2,1-2H3
InChIKeyUULDZOFOCHPBCU-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-Ethyl-5-fluoro-3-methyl-2,3-dihydropyridine
CID 91228283
(E)-4-fluoro-N,2-dimethylhept-4-en-3-imine
CID 142523799
5-Fluoro-3,6-dimethyl-2,3-dihydropyridine
CID 146561026
5-(1-fluoroethyl)-4-methyl-2H-pyrrole
CID 160626280
5-fluoro-4-propan-2-yl-2H-pyrrole
CID 162095864
3-Fluoro-6-propan-2-yl-2,3-dihydropyridine
CID 144060413
5-propan-2-yl-4-(trifluoromethyl)-2H-pyrrole
CID 159292529
4-fluoro-5-propan-2-yl-2H-indole
CID 159358624
5-propan-2-yl-3-(trifluoromethyl)-2H-pyrrole
CID 159472721
4-fluoro-5-methyl-2H-pyrrole
CID 165078351
5-propan-2-yl-2H-pyrrole
CID 18736790
5-ethyl-3-methyl-2H-pyrrole
CID 20748859

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-propan-2-yl-2H-pyrrole?
The IUPAC name of 4-fluoro-5-propan-2-yl-2H-pyrrole (CID 159292526) is 4-fluoro-5-propan-2-yl-2H-pyrrole.
What is the SMILES notation for 4-fluoro-5-propan-2-yl-2H-pyrrole?
The canonical SMILES for 4-fluoro-5-propan-2-yl-2H-pyrrole is CC(C)C1=NCC=C1F.
What is the InChIKey of 4-fluoro-5-propan-2-yl-2H-pyrrole?
The InChIKey is UULDZOFOCHPBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-5(2)7-6(8)3-4-9-7/h3,5H,4H2,1-2H3.
What are the key properties of 4-fluoro-5-propan-2-yl-2H-pyrrole?
4-fluoro-5-propan-2-yl-2H-pyrrole has a molecular weight of 127.16 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-propan-2-yl-2H-pyrrole is sourced from PubChem (CID 159292526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).