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

C12H24FN — CID 163972124

IUPAC1-(3-fluoropropyl)-2-methyl-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1(C)CCCN1CCCF
InChIInChI=1S/C12H24FN/c1-11(2)10-12(3)6-4-8-14(12)9-5-7-13/h11H,4-10H2,1-3H3
InChIKeyRIXPNRKSAKCTOD-UHFFFAOYSA-N
MW201.33 g/mol
LogP3.25
Rot. Bonds5

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

1-(3-fluoropropyl)-2-methyl-2-(2-methylpropyl)pyrrolidine (PubChem CID 163972124) has the molecular formula C12H24FN and a molecular weight of 201.33 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-2-methyl-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-2-methyl-2-(2-methylpropyl)pyrrolidine
PubChem CID163972124
Molecular FormulaC12H24FN
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC Name1-(3-fluoropropyl)-2-methyl-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1(C)CCCN1CCCF
InChIInChI=1S/C12H24FN/c1-11(2)10-12(3)6-4-8-14(12)9-5-7-13/h11H,4-10H2,1-3H3
InChIKeyRIXPNRKSAKCTOD-UHFFFAOYSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 53.25
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-methyl-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of 1-(3-fluoropropyl)-2-methyl-2-(2-methylpropyl)pyrrolidine (CID 163972124) is 1-(3-fluoropropyl)-2-methyl-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 1-(3-fluoropropyl)-2-methyl-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 1-(3-fluoropropyl)-2-methyl-2-(2-methylpropyl)pyrrolidine is CC(C)CC1(C)CCCN1CCCF.
What is the InChIKey of 1-(3-fluoropropyl)-2-methyl-2-(2-methylpropyl)pyrrolidine?
The InChIKey is RIXPNRKSAKCTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FN/c1-11(2)10-12(3)6-4-8-14(12)9-5-7-13/h11H,4-10H2,1-3H3.
What are the key properties of 1-(3-fluoropropyl)-2-methyl-2-(2-methylpropyl)pyrrolidine?
1-(3-fluoropropyl)-2-methyl-2-(2-methylpropyl)pyrrolidine has a molecular weight of 201.33 g/mol, XLogP of 3.25, 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-methyl-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 163972124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).