3,3-difluoro-4-(2,2,2-trifluoroethoxy)pyrrolidine

C6H8F5NO — CID 157032646

IUPAC3,3-difluoro-4-(2,2,2-trifluoroethoxy)pyrrolidine
SMILESFC(F)(F)COC1CNCC1(F)F
InChIInChI=1S/C6H8F5NO/c7-5(8)2-12-1-4(5)13-3-6(9,10)11/h4,12H,1-3H2
InChIKeyADQXTGYPVSQLQF-UHFFFAOYSA-N
MW205.13 g/mol
LogP1.17
Rot. Bonds2

About 3,3-difluoro-4-(2,2,2-trifluoroethoxy)pyrrolidine

3,3-difluoro-4-(2,2,2-trifluoroethoxy)pyrrolidine (PubChem CID 157032646) has the molecular formula C6H8F5NO and a molecular weight of 205.13 g/mol. Its IUPAC name is 3,3-difluoro-4-(2,2,2-trifluoroethoxy)pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-4-(2,2,2-trifluoroethoxy)pyrrolidine
PubChem CID157032646
Molecular FormulaC6H8F5NO
Molecular Weight205.13 g/mol
Exact Mass205.05
IUPAC Name3,3-difluoro-4-(2,2,2-trifluoroethoxy)pyrrolidine
SMILESFC(F)(F)COC1CNCC1(F)F
InChIInChI=1S/C6H8F5NO/c7-5(8)2-12-1-4(5)13-3-6(9,10)11/h4,12H,1-3H2
InChIKeyADQXTGYPVSQLQF-UHFFFAOYSA-N
XLogP1.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(1-Methylethoxy)pyrrolidine
CID 68339378
5-Methyl-2-(trifluoromethyl)-1,3-oxazolidine
CID 207924
(3S)-3-ethoxypyrrolidine
CID 11116030
3-(Trifluoromethoxy)pyrrolidine hydrochloride
CID 75530505
(3R)-3-(difluoromethoxy)pyrrolidine
CID 97300413
(3S)-3-(difluoromethoxy)pyrrolidine
CID 97300414
(3S)-3-(trifluoromethoxy)pyrrolidine hydrochloride
CID 117588017
(3R)-3-(trifluoromethoxy)pyrrolidine hydrochloride
CID 117588051
rac-(3R,4R)-3-fluoro-4-methoxypyrrolidine hydrochloride
CID 119053418
(3R)-3-(2,2-difluoroethoxy)pyrrolidine hydrochloride
CID 167737539
3-(Difluoromethoxy)pyrrolidine
CID 55300576
3-(2-Fluoroethoxy)pyrrolidine
CID 53409223

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-(2,2,2-trifluoroethoxy)pyrrolidine?
The IUPAC name of 3,3-difluoro-4-(2,2,2-trifluoroethoxy)pyrrolidine (CID 157032646) is 3,3-difluoro-4-(2,2,2-trifluoroethoxy)pyrrolidine.
What is the SMILES notation for 3,3-difluoro-4-(2,2,2-trifluoroethoxy)pyrrolidine?
The canonical SMILES for 3,3-difluoro-4-(2,2,2-trifluoroethoxy)pyrrolidine is FC(F)(F)COC1CNCC1(F)F.
What is the InChIKey of 3,3-difluoro-4-(2,2,2-trifluoroethoxy)pyrrolidine?
The InChIKey is ADQXTGYPVSQLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F5NO/c7-5(8)2-12-1-4(5)13-3-6(9,10)11/h4,12H,1-3H2.
What are the key properties of 3,3-difluoro-4-(2,2,2-trifluoroethoxy)pyrrolidine?
3,3-difluoro-4-(2,2,2-trifluoroethoxy)pyrrolidine has a molecular weight of 205.13 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-(2,2,2-trifluoroethoxy)pyrrolidine is sourced from PubChem (CID 157032646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).