1-(3-fluorobutyl)-3-methylpyrrolidine

C9H18FN — CID 130660857

IUPAC1-(3-fluorobutyl)-3-methylpyrrolidine
SMILESCC(F)CCN1CCC(C)C1
InChIInChI=1S/C9H18FN/c1-8-3-5-11(7-8)6-4-9(2)10/h8-9H,3-7H2,1-2H3
InChIKeyMPOZEPXASSRUAW-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.08
Rot. Bonds3

About 1-(3-fluorobutyl)-3-methylpyrrolidine

1-(3-fluorobutyl)-3-methylpyrrolidine (PubChem CID 130660857) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 1-(3-fluorobutyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name1-(3-fluorobutyl)-3-methylpyrrolidine
PubChem CID130660857
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name1-(3-fluorobutyl)-3-methylpyrrolidine
SMILESCC(F)CCN1CCC(C)C1
InChIInChI=1S/C9H18FN/c1-8-3-5-11(7-8)6-4-9(2)10/h8-9H,3-7H2,1-2H3
InChIKeyMPOZEPXASSRUAW-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,3-difluoropropyl)-3-methylpiperidine
CID 176946116
2-(3-methylpyrrolidin-1-yl)ethanol
CID 22706983
1-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidin-4-amine
CID 79328360
N-[2-(3-methylpyrrolidin-1-yl)ethyl]pentan-2-amine
CID 62561816
1-(3-fluorobutyl)-2,5-dimethylpyrrolidine
CID 130702975
formaldehyde;4-methyl-1-(3-methylbutyl)piperidine
CID 143870022
1-(4-fluorophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62645202
ethane;1-ethyl-3-methylpyrrolidine
CID 90936593
CID 23403793
CID 23403793
[1-[2-(3-methylpyrrolidin-1-yl)ethyl]azetidin-2-yl]methanamine
CID 165493072
(3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 122495210
3-fluoro-1-(3-methylbutyl)pyrrolidine
CID 67990286

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorobutyl)-3-methylpyrrolidine?
The IUPAC name of 1-(3-fluorobutyl)-3-methylpyrrolidine (CID 130660857) is 1-(3-fluorobutyl)-3-methylpyrrolidine.
What is the SMILES notation for 1-(3-fluorobutyl)-3-methylpyrrolidine?
The canonical SMILES for 1-(3-fluorobutyl)-3-methylpyrrolidine is CC(F)CCN1CCC(C)C1.
What is the InChIKey of 1-(3-fluorobutyl)-3-methylpyrrolidine?
The InChIKey is MPOZEPXASSRUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-8-3-5-11(7-8)6-4-9(2)10/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(3-fluorobutyl)-3-methylpyrrolidine?
1-(3-fluorobutyl)-3-methylpyrrolidine has a molecular weight of 159.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorobutyl)-3-methylpyrrolidine is sourced from PubChem (CID 130660857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).