4-fluoro-5-methyl-2H-pyrrole

C5H6FN — CID 165078351

IUPAC4-fluoro-5-methyl-2H-pyrrole
SMILESCC1=NCC=C1F
InChIInChI=1S/C5H6FN/c1-4-5(6)2-3-7-4/h2H,3H2,1H3
InChIKeyMHIQRQDZIXVVPR-UHFFFAOYSA-N
MW99.11 g/mol
LogP1.31
Rot. Bonds

About 4-fluoro-5-methyl-2H-pyrrole

4-fluoro-5-methyl-2H-pyrrole (PubChem CID 165078351) has the molecular formula C5H6FN and a molecular weight of 99.11 g/mol. Its IUPAC name is 4-fluoro-5-methyl-2H-pyrrole.

Molecular Properties

Compound Name4-fluoro-5-methyl-2H-pyrrole
PubChem CID165078351
Molecular FormulaC5H6FN
Molecular Weight99.11 g/mol
Exact Mass99.05
IUPAC Name4-fluoro-5-methyl-2H-pyrrole
SMILESCC1=NCC=C1F
InChIInChI=1S/C5H6FN/c1-4-5(6)2-3-7-4/h2H,3H2,1H3
InChIKeyMHIQRQDZIXVVPR-UHFFFAOYSA-N
XLogP1.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.11
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-2H-pyrrole
CID 12554804
5-(trifluoromethyl)-2H-pyrrole
CID 58924994
(Z)-4-fluoro-N-methylpent-3-en-2-imine
CID 144484430
(E)-4-fluoro-N-methylhex-3-en-2-imine
CID 144488942
2-methyl-5-(trifluoromethyl)-2H-pyrrole
CID 147083581
(Z)-N-ethyl-5-fluoropent-3-en-2-imine
CID 166974523
(E)-3-fluoro-N-methylhex-3-en-2-imine
CID 169235858
5-Fluoro-6-methyl-2,3-dihydropyridine
CID 169656959
5-(difluoromethyl)-2H-pyrrole
CID 174763302
5-(1,1-difluoroethyl)-2H-pyrrole
CID 145200832
4-fluoro-5-propan-2-yl-2H-pyrrole
CID 159292526
3-methyl-5-(trifluoromethyl)-2H-pyrrole
CID 167682700

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-2H-pyrrole?
The IUPAC name of 4-fluoro-5-methyl-2H-pyrrole (CID 165078351) is 4-fluoro-5-methyl-2H-pyrrole.
What is the SMILES notation for 4-fluoro-5-methyl-2H-pyrrole?
The canonical SMILES for 4-fluoro-5-methyl-2H-pyrrole is CC1=NCC=C1F.
What is the InChIKey of 4-fluoro-5-methyl-2H-pyrrole?
The InChIKey is MHIQRQDZIXVVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN/c1-4-5(6)2-3-7-4/h2H,3H2,1H3.
What are the key properties of 4-fluoro-5-methyl-2H-pyrrole?
4-fluoro-5-methyl-2H-pyrrole has a molecular weight of 99.11 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-2H-pyrrole is sourced from PubChem (CID 165078351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).