3-ethoxy-3-(trifluoromethyl)pyrrolidine

C7H12F3NO — CID 121203299

IUPAC3-ethoxy-3-(trifluoromethyl)pyrrolidine
SMILESCCOC1(C(F)(F)F)CCNC1
InChIInChI=1S/C7H12F3NO/c1-2-12-6(7(8,9)10)3-4-11-5-6/h11H,2-5H2,1H3
InChIKeyKIYHOECDMVRFTN-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.32
Rot. Bonds2

About 3-ethoxy-3-(trifluoromethyl)pyrrolidine

3-ethoxy-3-(trifluoromethyl)pyrrolidine (PubChem CID 121203299) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 3-ethoxy-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name3-ethoxy-3-(trifluoromethyl)pyrrolidine
PubChem CID121203299
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name3-ethoxy-3-(trifluoromethyl)pyrrolidine
SMILESCCOC1(C(F)(F)F)CCNC1
InChIInChI=1S/C7H12F3NO/c1-2-12-6(7(8,9)10)3-4-11-5-6/h11H,2-5H2,1H3
InChIKeyKIYHOECDMVRFTN-UHFFFAOYSA-N
XLogP1.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 97300413
CID 97300413
CID 97300414
CID 97300414
CID 117588017
CID 117588017
CID 117588051
CID 117588051
CID 126809407
CID 126809407
CID 165949884
CID 165949884
CID 167737539
CID 167737539
CID 55300576
CID 55300576
CID 53409223
CID 53409223
CID 138039599
CID 138039599

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of 3-ethoxy-3-(trifluoromethyl)pyrrolidine (CID 121203299) is 3-ethoxy-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 3-ethoxy-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 3-ethoxy-3-(trifluoromethyl)pyrrolidine is CCOC1(C(F)(F)F)CCNC1.
What is the InChIKey of 3-ethoxy-3-(trifluoromethyl)pyrrolidine?
The InChIKey is KIYHOECDMVRFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-2-12-6(7(8,9)10)3-4-11-5-6/h11H,2-5H2,1H3.
What are the key properties of 3-ethoxy-3-(trifluoromethyl)pyrrolidine?
3-ethoxy-3-(trifluoromethyl)pyrrolidine has a molecular weight of 183.17 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 121203299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).