fluoroform;1-methyl-1-(propan-2-yloxymethyl)pyrrolidin-1-ium

C10H21F3NO+ — CID 160501881

IUPACfluoroform;1-methyl-1-(propan-2-yloxymethyl)pyrrolidin-1-ium
SMILESCC(C)OC[N+]1(C)CCCC1.FC(F)F
InChIInChI=1S/C9H20NO.CHF3/c1-9(2)11-8-10(3)6-4-5-7-10;2-1(3)4/h9H,4-8H2,1-3H3;1H/q+1;
InChIKeyQRWUSESNFHTFCG-UHFFFAOYSA-N
MW228.28 g/mol
LogP2.79
Rot. Bonds3

About fluoroform;1-methyl-1-(propan-2-yloxymethyl)pyrrolidin-1-ium

fluoroform;1-methyl-1-(propan-2-yloxymethyl)pyrrolidin-1-ium (PubChem CID 160501881) has the molecular formula C10H21F3NO+ and a molecular weight of 228.28 g/mol. Its IUPAC name is fluoroform;1-methyl-1-(propan-2-yloxymethyl)pyrrolidin-1-ium.

Molecular Properties

Compound Namefluoroform;1-methyl-1-(propan-2-yloxymethyl)pyrrolidin-1-ium
PubChem CID160501881
Molecular FormulaC10H21F3NO+
Molecular Weight228.28 g/mol
Exact Mass228.16
IUPAC Namefluoroform;1-methyl-1-(propan-2-yloxymethyl)pyrrolidin-1-ium
SMILESCC(C)OC[N+]1(C)CCCC1.FC(F)F
InChIInChI=1S/C9H20NO.CHF3/c1-9(2)11-8-10(3)6-4-5-7-10;2-1(3)4/h9H,4-8H2,1-3H3;1H/q+1;
InChIKeyQRWUSESNFHTFCG-UHFFFAOYSA-N
XLogP2.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 52.79
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-methyl-1-(propan-2-yloxymethyl)pyrrolidin-1-ium?
The IUPAC name of fluoroform;1-methyl-1-(propan-2-yloxymethyl)pyrrolidin-1-ium (CID 160501881) is fluoroform;1-methyl-1-(propan-2-yloxymethyl)pyrrolidin-1-ium.
What is the SMILES notation for fluoroform;1-methyl-1-(propan-2-yloxymethyl)pyrrolidin-1-ium?
The canonical SMILES for fluoroform;1-methyl-1-(propan-2-yloxymethyl)pyrrolidin-1-ium is CC(C)OC[N+]1(C)CCCC1.FC(F)F.
What is the InChIKey of fluoroform;1-methyl-1-(propan-2-yloxymethyl)pyrrolidin-1-ium?
The InChIKey is QRWUSESNFHTFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO.CHF3/c1-9(2)11-8-10(3)6-4-5-7-10;2-1(3)4/h9H,4-8H2,1-3H3;1H/q+1;.
What are the key properties of fluoroform;1-methyl-1-(propan-2-yloxymethyl)pyrrolidin-1-ium?
fluoroform;1-methyl-1-(propan-2-yloxymethyl)pyrrolidin-1-ium has a molecular weight of 228.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroform;1-methyl-1-(propan-2-yloxymethyl)pyrrolidin-1-ium is sourced from PubChem (CID 160501881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).