3-(1-methylpyrrolidin-2-yl)propan-1-ol tetrafluoroborate

C8H17BF4NO- — CID 174876425

IUPAC3-(1-methylpyrrolidin-2-yl)propan-1-ol tetrafluoroborate
SMILESCN1CCCC1CCCO.F[B-](F)(F)F
InChIInChI=1S/C8H17NO.BF4/c1-9-6-2-4-8(9)5-3-7-10;2-1(3,4)5/h8,10H,2-7H2,1H3;/q;-1
InChIKeyJURUQYXUUMDISN-UHFFFAOYSA-N
MW230.03 g/mol
LogP2.15
Rot. Bonds3

About 3-(1-methylpyrrolidin-2-yl)propan-1-ol tetrafluoroborate

3-(1-methylpyrrolidin-2-yl)propan-1-ol tetrafluoroborate (PubChem CID 174876425) has the molecular formula C8H17BF4NO- and a molecular weight of 230.03 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-2-yl)propan-1-ol tetrafluoroborate.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-2-yl)propan-1-ol tetrafluoroborate
PubChem CID174876425
Molecular FormulaC8H17BF4NO-
Molecular Weight230.03 g/mol
Exact Mass230.13
IUPAC Name3-(1-methylpyrrolidin-2-yl)propan-1-ol tetrafluoroborate
SMILESCN1CCCC1CCCO.F[B-](F)(F)F
InChIInChI=1S/C8H17NO.BF4/c1-9-6-2-4-8(9)5-3-7-10;2-1(3,4)5/h8,10H,2-7H2,1H3;/q;-1
InChIKeyJURUQYXUUMDISN-UHFFFAOYSA-N
XLogP2.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.03
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

11-[(2R)-1-methylpyrrolidin-2-yl]undecan-1-ol
CID 11777143
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
trifluoro-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]boranuide
CID 63704892
1-methyl-2-tetradecylpyrrolidine
CID 24796983
3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol
CID 80601823
3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol
CID 83161632
(1-methylpyrrolidin-2-yl)methanol;yttrium
CID 164903793
ethane;N-methyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine
CID 145468327
1-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 59939510
cyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen
CID 143951282
3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 82892128
(2S)-1-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine
CID 146334915

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrolidin-2-yl)propan-1-ol tetrafluoroborate?
The IUPAC name of 3-(1-methylpyrrolidin-2-yl)propan-1-ol tetrafluoroborate (CID 174876425) is 3-(1-methylpyrrolidin-2-yl)propan-1-ol tetrafluoroborate.
What is the SMILES notation for 3-(1-methylpyrrolidin-2-yl)propan-1-ol tetrafluoroborate?
The canonical SMILES for 3-(1-methylpyrrolidin-2-yl)propan-1-ol tetrafluoroborate is CN1CCCC1CCCO.F[B-](F)(F)F.
What is the InChIKey of 3-(1-methylpyrrolidin-2-yl)propan-1-ol tetrafluoroborate?
The InChIKey is JURUQYXUUMDISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.BF4/c1-9-6-2-4-8(9)5-3-7-10;2-1(3,4)5/h8,10H,2-7H2,1H3;/q;-1.
What are the key properties of 3-(1-methylpyrrolidin-2-yl)propan-1-ol tetrafluoroborate?
3-(1-methylpyrrolidin-2-yl)propan-1-ol tetrafluoroborate has a molecular weight of 230.03 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolidin-2-yl)propan-1-ol tetrafluoroborate is sourced from PubChem (CID 174876425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).