1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine

C11H22FN — CID 163972118

IUPAC1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1CCCN1CCCF
InChIInChI=1S/C11H22FN/c1-10(2)9-11-5-3-7-13(11)8-4-6-12/h10-11H,3-9H2,1-2H3
InChIKeyYYMNZQPNWNMSFO-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.86
Rot. Bonds5

About 1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine

1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine (PubChem CID 163972118) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine
PubChem CID163972118
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1CCCN1CCCF
InChIInChI=1S/C11H22FN/c1-10(2)9-11-5-3-7-13(11)8-4-6-12/h10-11H,3-9H2,1-2H3
InChIKeyYYMNZQPNWNMSFO-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.86
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)pyrrolidine?
The IUPAC name of 1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine (CID 163972118) is 1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine is CC(C)CC1CCCN1CCCF.
What is the InChIKey of 1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine?
The InChIKey is YYMNZQPNWNMSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-10(2)9-11-5-3-7-13(11)8-4-6-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine?
1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine has a molecular weight of 187.30 g/mol, XLogP of 2.86, 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)pyrrolidine is sourced from PubChem (CID 163972118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).