fluoroform;1-propan-2-yl-1-(propoxymethyl)pyrrolidin-1-ium

C12H25F3NO+ — CID 158015718

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

About fluoroform;1-propan-2-yl-1-(propoxymethyl)pyrrolidin-1-ium

fluoroform;1-propan-2-yl-1-(propoxymethyl)pyrrolidin-1-ium (PubChem CID 158015718) has the molecular formula C12H25F3NO+ and a molecular weight of 256.33 g/mol. Its IUPAC name is fluoroform;1-propan-2-yl-1-(propoxymethyl)pyrrolidin-1-ium.

Molecular Properties

Compound Namefluoroform;1-propan-2-yl-1-(propoxymethyl)pyrrolidin-1-ium
PubChem CID158015718
Molecular FormulaC12H25F3NO+
Molecular Weight256.33 g/mol
Exact Mass256.19
IUPAC Namefluoroform;1-propan-2-yl-1-(propoxymethyl)pyrrolidin-1-ium
SMILESCCCOC[N+]1(C(C)C)CCCC1.FC(F)F
InChIInChI=1S/C11H24NO.CHF3/c1-4-9-13-10-12(11(2)3)7-5-6-8-12;2-1(3)4/h11H,4-10H2,1-3H3;1H/q+1;
InChIKeyFFKXWPRZYVCOEX-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoroform;1-propan-2-yl-1-(propoxymethyl)pyrrolidin-1-ium?
The IUPAC name of fluoroform;1-propan-2-yl-1-(propoxymethyl)pyrrolidin-1-ium (CID 158015718) is fluoroform;1-propan-2-yl-1-(propoxymethyl)pyrrolidin-1-ium.
What is the SMILES notation for fluoroform;1-propan-2-yl-1-(propoxymethyl)pyrrolidin-1-ium?
The canonical SMILES for fluoroform;1-propan-2-yl-1-(propoxymethyl)pyrrolidin-1-ium is CCCOC[N+]1(C(C)C)CCCC1.FC(F)F.
What is the InChIKey of fluoroform;1-propan-2-yl-1-(propoxymethyl)pyrrolidin-1-ium?
The InChIKey is FFKXWPRZYVCOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO.CHF3/c1-4-9-13-10-12(11(2)3)7-5-6-8-12;2-1(3)4/h11H,4-10H2,1-3H3;1H/q+1;.
What are the key properties of fluoroform;1-propan-2-yl-1-(propoxymethyl)pyrrolidin-1-ium?
fluoroform;1-propan-2-yl-1-(propoxymethyl)pyrrolidin-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-yl-1-(propoxymethyl)pyrrolidin-1-ium is sourced from PubChem (CID 158015718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).