4-fluoro-5-methyl-2,3-dihydro-1H-pyrrole

C5H8FN — CID 174781629

IUPAC4-fluoro-5-methyl-2,3-dihydro-1H-pyrrole
SMILESCC1=C(F)CCN1
InChIInChI=1S/C5H8FN/c1-4-5(6)2-3-7-4/h7H,2-3H2,1H3
InChIKeyXKTJBNVBIMDICL-UHFFFAOYSA-N
MW101.12 g/mol
LogP1.18
Rot. Bonds

About 4-fluoro-5-methyl-2,3-dihydro-1H-pyrrole

4-fluoro-5-methyl-2,3-dihydro-1H-pyrrole (PubChem CID 174781629) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is 4-fluoro-5-methyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name4-fluoro-5-methyl-2,3-dihydro-1H-pyrrole
PubChem CID174781629
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name4-fluoro-5-methyl-2,3-dihydro-1H-pyrrole
SMILESCC1=C(F)CCN1
InChIInChI=1S/C5H8FN/c1-4-5(6)2-3-7-4/h7H,2-3H2,1H3
InChIKeyXKTJBNVBIMDICL-UHFFFAOYSA-N
XLogP1.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Pyrroline, 2-ethyl-
CID 23422339
5-methyl-2,3-dihydro-1H-pyrrole
CID 19816704
Dimethylpyrroline
CID 21129173
4-Fluoro-3,3,5-trimethyl-1,2-dihydropyrrole
CID 68070905
(Z)-3-fluoro-N-methylpent-2-en-2-amine
CID 89419652
N-ethyl-3,4,4,5,5,5-hexafluoropent-2-en-2-amine
CID 140967621
(E)-2-N-ethyl-3-fluoropent-2-ene-1,2-diamine
CID 156569840
(E)-2-fluoro-N-methylpent-2-en-3-amine
CID 166810936
(E)-2,4-difluoro-N-methylhex-3-en-3-amine
CID 166983837
(Z)-4-fluoro-N-methylhex-3-en-3-amine
CID 170097041
(E)-4-fluoro-3-N,4-dimethylpent-2-ene-2,3-diamine
CID 172283266
3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole
CID 174532269

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 4-fluoro-5-methyl-2,3-dihydro-1H-pyrrole (CID 174781629) is 4-fluoro-5-methyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 4-fluoro-5-methyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 4-fluoro-5-methyl-2,3-dihydro-1H-pyrrole is CC1=C(F)CCN1.
What is the InChIKey of 4-fluoro-5-methyl-2,3-dihydro-1H-pyrrole?
The InChIKey is XKTJBNVBIMDICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN/c1-4-5(6)2-3-7-4/h7H,2-3H2,1H3.
What are the key properties of 4-fluoro-5-methyl-2,3-dihydro-1H-pyrrole?
4-fluoro-5-methyl-2,3-dihydro-1H-pyrrole has a molecular weight of 101.12 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 174781629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).