3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole

C7H12FN — CID 174532269

IUPAC3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole
SMILESCC(C)C1=CC(F)CN1
InChIInChI=1S/C7H12FN/c1-5(2)7-3-6(8)4-9-7/h3,5-6,9H,4H2,1-2H3
InChIKeyLJPXEGDKSBYGGX-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.47
Rot. Bonds1

About 3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole

3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole (PubChem CID 174532269) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole
PubChem CID174532269
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole
SMILESCC(C)C1=CC(F)CN1
InChIInChI=1S/C7H12FN/c1-5(2)7-3-6(8)4-9-7/h3,5-6,9H,4H2,1-2H3
InChIKeyLJPXEGDKSBYGGX-UHFFFAOYSA-N
XLogP1.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Pyrroline, 2-ethyl-
CID 23422339
2,5-dimethyl-2,3-dihydro-1H-pyrrole
CID 22048502
3,3,5-Trimethyl-1,2-dihydropyrrole
CID 12647060
5-methyl-2,3-dihydro-1H-pyrrole
CID 19816704
4-Fluoro-3,3,5-trimethyl-1,2-dihydropyrrole
CID 68070905
3-fluoro-N-methylcyclopenta-1,3-dien-1-amine
CID 117753829
6-Methyl-4-(trifluoromethyl)-1,2,3,4-tetrahydropyridine
CID 126694523
(E)-N-(fluoromethyl)hex-3-en-3-amine
CID 129273358
3,5-Dimethyl-3-(trifluoromethyl)-1,2-dihydropyrrole
CID 138509621
(E,4R)-4-fluoro-N-(2-methylpropyl)hept-2-en-2-amine
CID 139324079
(E)-4-fluoro-N-methylpent-2-en-2-amine
CID 142979629
5-Tert-butyl-3-fluoro-3-methyl-1,2-dihydropyrrole
CID 146392555

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole (CID 174532269) is 3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole is CC(C)C1=CC(F)CN1.
What is the InChIKey of 3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole?
The InChIKey is LJPXEGDKSBYGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-5(2)7-3-6(8)4-9-7/h3,5-6,9H,4H2,1-2H3.
What are the key properties of 3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole?
3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole has a molecular weight of 129.18 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 174532269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).