1-(3-fluoropropyl)-2-(2-methylpropyl)-2,3-dihydropyrrole

C11H20FN — CID 170073250

IUPAC1-(3-fluoropropyl)-2-(2-methylpropyl)-2,3-dihydropyrrole
SMILESCC(C)CC1CC=CN1CCCF
InChIInChI=1S/C11H20FN/c1-10(2)9-11-5-3-7-13(11)8-4-6-12/h3,7,10-11H,4-6,8-9H2,1-2H3
InChIKeyNPPAEEMSVZSEJO-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.98
Rot. Bonds5

About 1-(3-fluoropropyl)-2-(2-methylpropyl)-2,3-dihydropyrrole

1-(3-fluoropropyl)-2-(2-methylpropyl)-2,3-dihydropyrrole (PubChem CID 170073250) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-2-(2-methylpropyl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-(3-fluoropropyl)-2-(2-methylpropyl)-2,3-dihydropyrrole
PubChem CID170073250
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name1-(3-fluoropropyl)-2-(2-methylpropyl)-2,3-dihydropyrrole
SMILESCC(C)CC1CC=CN1CCCF
InChIInChI=1S/C11H20FN/c1-10(2)9-11-5-3-7-13(11)8-4-6-12/h3,7,10-11H,4-6,8-9H2,1-2H3
InChIKeyNPPAEEMSVZSEJO-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-2-(2-methylpropyl)-2,3-dihydropyrrole?
The IUPAC name of 1-(3-fluoropropyl)-2-(2-methylpropyl)-2,3-dihydropyrrole (CID 170073250) is 1-(3-fluoropropyl)-2-(2-methylpropyl)-2,3-dihydropyrrole.
What is the SMILES notation for 1-(3-fluoropropyl)-2-(2-methylpropyl)-2,3-dihydropyrrole?
The canonical SMILES for 1-(3-fluoropropyl)-2-(2-methylpropyl)-2,3-dihydropyrrole is CC(C)CC1CC=CN1CCCF.
What is the InChIKey of 1-(3-fluoropropyl)-2-(2-methylpropyl)-2,3-dihydropyrrole?
The InChIKey is NPPAEEMSVZSEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-10(2)9-11-5-3-7-13(11)8-4-6-12/h3,7,10-11H,4-6,8-9H2,1-2H3.
What are the key properties of 1-(3-fluoropropyl)-2-(2-methylpropyl)-2,3-dihydropyrrole?
1-(3-fluoropropyl)-2-(2-methylpropyl)-2,3-dihydropyrrole has a molecular weight of 185.29 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-2-(2-methylpropyl)-2,3-dihydropyrrole is sourced from PubChem (CID 170073250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).