2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrrolidine

C8H14F3NO — CID 66274591

IUPAC2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrrolidine
SMILESCC(OCC1CCCN1)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-6(8(9,10)11)13-5-7-3-2-4-12-7/h6-7,12H,2-5H2,1H3
InChIKeyNRUMRRPKNWRISY-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.71
Rot. Bonds3

About 2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrrolidine

2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrrolidine (PubChem CID 66274591) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrrolidine
PubChem CID66274591
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrrolidine
SMILESCC(OCC1CCCN1)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-6(8(9,10)11)13-5-7-3-2-4-12-7/h6-7,12H,2-5H2,1H3
InChIKeyNRUMRRPKNWRISY-UHFFFAOYSA-N
XLogP1.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrrolidine?
The IUPAC name of 2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrrolidine (CID 66274591) is 2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for 2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for 2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrrolidine is CC(OCC1CCCN1)C(F)(F)F.
What is the InChIKey of 2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrrolidine?
The InChIKey is NRUMRRPKNWRISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-6(8(9,10)11)13-5-7-3-2-4-12-7/h6-7,12H,2-5H2,1H3.
What are the key properties of 2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrrolidine?
2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrrolidine has a molecular weight of 197.20 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 66274591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).