fluoroform;1-(propan-2-yloxymethyl)-1-propylpyrrolidin-1-ium

C12H25F3NO+ — CID 162196800

IUPACfluoroform;1-(propan-2-yloxymethyl)-1-propylpyrrolidin-1-ium
SMILESCCC[N+]1(COC(C)C)CCCC1.FC(F)F
InChIInChI=1S/C11H24NO.CHF3/c1-4-7-12(8-5-6-9-12)10-13-11(2)3;2-1(3)4/h11H,4-10H2,1-3H3;1H/q+1;
InChIKeyZRAWXYOSMNYZFR-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.57
Rot. Bonds5

About fluoroform;1-(propan-2-yloxymethyl)-1-propylpyrrolidin-1-ium

fluoroform;1-(propan-2-yloxymethyl)-1-propylpyrrolidin-1-ium (PubChem CID 162196800) has the molecular formula C12H25F3NO+ and a molecular weight of 256.33 g/mol. Its IUPAC name is fluoroform;1-(propan-2-yloxymethyl)-1-propylpyrrolidin-1-ium.

Molecular Properties

Compound Namefluoroform;1-(propan-2-yloxymethyl)-1-propylpyrrolidin-1-ium
PubChem CID162196800
Molecular FormulaC12H25F3NO+
Molecular Weight256.33 g/mol
Exact Mass256.19
IUPAC Namefluoroform;1-(propan-2-yloxymethyl)-1-propylpyrrolidin-1-ium
SMILESCCC[N+]1(COC(C)C)CCCC1.FC(F)F
InChIInChI=1S/C11H24NO.CHF3/c1-4-7-12(8-5-6-9-12)10-13-11(2)3;2-1(3)4/h11H,4-10H2,1-3H3;1H/q+1;
InChIKeyZRAWXYOSMNYZFR-UHFFFAOYSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-[Ethoxy(difluoro)methyl]pyrrolidine
CID 18721520
3-Fluoro-1-(3-propan-2-yloxypropyl)pyrrolidine
CID 20742857
3,3-Difluoro-1-(3-methoxypropyl)pyrrolidine
CID 21035011
3,3-Difluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 58140093
1-Methyl-1-(propan-2-yloxymethyl)pyrrolidin-1-ium;2,2,2-trifluoroacetate
CID 66838712
1-(Propan-2-yloxymethyl)-1-propylpyrrolidin-1-ium;2,2,2-trifluoroacetate
CID 66838734
1-Butyl-1-(propan-2-yloxymethyl)pyrrolidin-1-ium;2,2,2-trifluoroacetate
CID 66838781
1-Ethyl-1-(propan-2-yloxymethyl)pyrrolidin-1-ium;2,2,2-trifluoroacetate
CID 66838794
1-(2,2-Difluoropropoxymethyl)pyrrolidine
CID 68196822
Fluoroform;1-methyl-1-(propoxymethyl)pyrrolidin-1-ium
CID 69491476
1-(Ethoxymethyl)-1-(2-methylpropyl)pyrrolidin-1-ium;fluoroform
CID 69491737
N-(2,2-difluoroethyl)-3-methoxy-N-methylbutan-1-amine
CID 90245806

Frequently Asked Questions

What is the IUPAC name of fluoroform;1-(propan-2-yloxymethyl)-1-propylpyrrolidin-1-ium?
The IUPAC name of fluoroform;1-(propan-2-yloxymethyl)-1-propylpyrrolidin-1-ium (CID 162196800) is fluoroform;1-(propan-2-yloxymethyl)-1-propylpyrrolidin-1-ium.
What is the SMILES notation for fluoroform;1-(propan-2-yloxymethyl)-1-propylpyrrolidin-1-ium?
The canonical SMILES for fluoroform;1-(propan-2-yloxymethyl)-1-propylpyrrolidin-1-ium is CCC[N+]1(COC(C)C)CCCC1.FC(F)F.
What is the InChIKey of fluoroform;1-(propan-2-yloxymethyl)-1-propylpyrrolidin-1-ium?
The InChIKey is ZRAWXYOSMNYZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO.CHF3/c1-4-7-12(8-5-6-9-12)10-13-11(2)3;2-1(3)4/h11H,4-10H2,1-3H3;1H/q+1;.
What are the key properties of fluoroform;1-(propan-2-yloxymethyl)-1-propylpyrrolidin-1-ium?
fluoroform;1-(propan-2-yloxymethyl)-1-propylpyrrolidin-1-ium has a molecular weight of 256.33 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroform;1-(propan-2-yloxymethyl)-1-propylpyrrolidin-1-ium is sourced from PubChem (CID 162196800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).