N-[(3-butyl-3-fluoropyrrolidin-2-yl)methyl]-2-fluoroethanamine

C11H22F2N2 — CID 168883579

IUPACN-[(3-butyl-3-fluoropyrrolidin-2-yl)methyl]-2-fluoroethanamine
SMILESCCCCC1(F)CCNC1CNCCF
InChIInChI=1S/C11H22F2N2/c1-2-3-4-11(13)5-7-15-10(11)9-14-8-6-12/h10,14-15H,2-9H2,1H3
InChIKeyJADRZNOKZUWKOK-UHFFFAOYSA-N
MW220.31 g/mol
LogP1.81
Rot. Bonds7

About N-[(3-butyl-3-fluoropyrrolidin-2-yl)methyl]-2-fluoroethanamine

N-[(3-butyl-3-fluoropyrrolidin-2-yl)methyl]-2-fluoroethanamine (PubChem CID 168883579) has the molecular formula C11H22F2N2 and a molecular weight of 220.31 g/mol. Its IUPAC name is N-[(3-butyl-3-fluoropyrrolidin-2-yl)methyl]-2-fluoroethanamine.

Molecular Properties

Compound NameN-[(3-butyl-3-fluoropyrrolidin-2-yl)methyl]-2-fluoroethanamine
PubChem CID168883579
Molecular FormulaC11H22F2N2
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC NameN-[(3-butyl-3-fluoropyrrolidin-2-yl)methyl]-2-fluoroethanamine
SMILESCCCCC1(F)CCNC1CNCCF
InChIInChI=1S/C11H22F2N2/c1-2-3-4-11(13)5-7-15-10(11)9-14-8-6-12/h10,14-15H,2-9H2,1H3
InChIKeyJADRZNOKZUWKOK-UHFFFAOYSA-N
XLogP1.81
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,4R)-4-fluoro-2-(2-methylpropyl)pyrrolidine
CID 57733819
(2R,4S)-4-fluoro-2-(2-methylpropyl)pyrrolidine
CID 57733829
4-Fluoro-2-(2-methylpropyl)pyrrolidine
CID 84716310
(2S)-2-butan-2-yl-4,4-difluoropyrrolidine
CID 88974962
(2S)-2-methyl-2-(3,3,3-trifluoropropyl)pyrrolidine
CID 97044752
2,2,2-trifluoro-N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine
CID 102775663
(2R)-4-fluoro-2-(2-methylpropyl)pyrrolidine
CID 117893458
4,4-Difluoro-2-(4-methylheptan-4-yl)pyrrolidine
CID 123146086
1-(3-methylheptan-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 123168308
2-fluoro-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine
CID 130504613
(5S)-5-butan-2-yl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 139299048
3-(5,5-Dimethylpyrrolidin-3-yl)-2-fluoropropan-1-amine
CID 139416618

Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-3-fluoropyrrolidin-2-yl)methyl]-2-fluoroethanamine?
The IUPAC name of N-[(3-butyl-3-fluoropyrrolidin-2-yl)methyl]-2-fluoroethanamine (CID 168883579) is N-[(3-butyl-3-fluoropyrrolidin-2-yl)methyl]-2-fluoroethanamine.
What is the SMILES notation for N-[(3-butyl-3-fluoropyrrolidin-2-yl)methyl]-2-fluoroethanamine?
The canonical SMILES for N-[(3-butyl-3-fluoropyrrolidin-2-yl)methyl]-2-fluoroethanamine is CCCCC1(F)CCNC1CNCCF.
What is the InChIKey of N-[(3-butyl-3-fluoropyrrolidin-2-yl)methyl]-2-fluoroethanamine?
The InChIKey is JADRZNOKZUWKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2/c1-2-3-4-11(13)5-7-15-10(11)9-14-8-6-12/h10,14-15H,2-9H2,1H3.
What are the key properties of N-[(3-butyl-3-fluoropyrrolidin-2-yl)methyl]-2-fluoroethanamine?
N-[(3-butyl-3-fluoropyrrolidin-2-yl)methyl]-2-fluoroethanamine has a molecular weight of 220.31 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butyl-3-fluoropyrrolidin-2-yl)methyl]-2-fluoroethanamine is sourced from PubChem (CID 168883579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).