1-(3-fluorobutyl)-2,5-dimethylpyrrolidine

C10H20FN — CID 130702975

IUPAC1-(3-fluorobutyl)-2,5-dimethylpyrrolidine
SMILESCC(F)CCN1C(C)CCC1C
InChIInChI=1S/C10H20FN/c1-8(11)6-7-12-9(2)4-5-10(12)3/h8-10H,4-7H2,1-3H3
InChIKeyVPJUSBOEYICWLV-UHFFFAOYSA-N
MW173.28 g/mol
LogP2.61
Rot. Bonds3

About 1-(3-fluorobutyl)-2,5-dimethylpyrrolidine

1-(3-fluorobutyl)-2,5-dimethylpyrrolidine (PubChem CID 130702975) has the molecular formula C10H20FN and a molecular weight of 173.28 g/mol. Its IUPAC name is 1-(3-fluorobutyl)-2,5-dimethylpyrrolidine.

Molecular Properties

Compound Name1-(3-fluorobutyl)-2,5-dimethylpyrrolidine
PubChem CID130702975
Molecular FormulaC10H20FN
Molecular Weight173.28 g/mol
Exact Mass173.16
IUPAC Name1-(3-fluorobutyl)-2,5-dimethylpyrrolidine
SMILESCC(F)CCN1C(C)CCC1C
InChIInChI=1S/C10H20FN/c1-8(11)6-7-12-9(2)4-5-10(12)3/h8-10H,4-7H2,1-3H3
InChIKeyVPJUSBOEYICWLV-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Cyclohexylpyrrolidine
CID 139064
2-Butyl-1-methylpyrrolidine
CID 558513
2-Ethyl-1-methylpyrrolidine
CID 558604
1-Hexylpyrrolidine
CID 67155
Pyrrolidinium, 1-hexyl-1-methyl-
CID 10490879
(2S)-1-(2,2-dimethylpropyl)-2-(fluoromethyl)pyrrolidine
CID 135037336
1-Butyl-2-methylpyrrolidine
CID 10909668
1-Methyl-2-propylpyrrolidine
CID 12411600
(3S,4S)-1-cyclohexyl-3,4-difluoropyrrolidine
CID 97988198
(3S,4S)-3,4-difluoro-1-octylpyrrolidine
CID 98469115
Diethylpyrrolidine
CID 12411601
1-Butyl-2,5-dimethylpyrrolidine
CID 12499528

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorobutyl)-2,5-dimethylpyrrolidine?
The IUPAC name of 1-(3-fluorobutyl)-2,5-dimethylpyrrolidine (CID 130702975) is 1-(3-fluorobutyl)-2,5-dimethylpyrrolidine.
What is the SMILES notation for 1-(3-fluorobutyl)-2,5-dimethylpyrrolidine?
The canonical SMILES for 1-(3-fluorobutyl)-2,5-dimethylpyrrolidine is CC(F)CCN1C(C)CCC1C.
What is the InChIKey of 1-(3-fluorobutyl)-2,5-dimethylpyrrolidine?
The InChIKey is VPJUSBOEYICWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-8(11)6-7-12-9(2)4-5-10(12)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-(3-fluorobutyl)-2,5-dimethylpyrrolidine?
1-(3-fluorobutyl)-2,5-dimethylpyrrolidine has a molecular weight of 173.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorobutyl)-2,5-dimethylpyrrolidine is sourced from PubChem (CID 130702975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).