4-(2,2-difluoroethoxy)-3,3-difluoropyrrolidine

C6H9F4NO — CID 157034956

IUPAC4-(2,2-difluoroethoxy)-3,3-difluoropyrrolidine
SMILESFC(F)COC1CNCC1(F)F
InChIInChI=1S/C6H9F4NO/c7-5(8)2-12-4-1-11-3-6(4,9)10/h4-5,11H,1-3H2
InChIKeyDYKMKLCFVJIEFY-UHFFFAOYSA-N
MW187.14 g/mol
LogP0.88
Rot. Bonds3

About 4-(2,2-difluoroethoxy)-3,3-difluoropyrrolidine

4-(2,2-difluoroethoxy)-3,3-difluoropyrrolidine (PubChem CID 157034956) has the molecular formula C6H9F4NO and a molecular weight of 187.14 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-3,3-difluoropyrrolidine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-3,3-difluoropyrrolidine
PubChem CID157034956
Molecular FormulaC6H9F4NO
Molecular Weight187.14 g/mol
Exact Mass187.06
IUPAC Name4-(2,2-difluoroethoxy)-3,3-difluoropyrrolidine
SMILESFC(F)COC1CNCC1(F)F
InChIInChI=1S/C6H9F4NO/c7-5(8)2-12-4-1-11-3-6(4,9)10/h4-5,11H,1-3H2
InChIKeyDYKMKLCFVJIEFY-UHFFFAOYSA-N
XLogP0.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.14
LogP ≤ 50.88
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 4-(2,2-difluoroethoxy)-3,3-difluoropyrrolidine?
The IUPAC name of 4-(2,2-difluoroethoxy)-3,3-difluoropyrrolidine (CID 157034956) is 4-(2,2-difluoroethoxy)-3,3-difluoropyrrolidine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-3,3-difluoropyrrolidine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-3,3-difluoropyrrolidine is FC(F)COC1CNCC1(F)F.
What is the InChIKey of 4-(2,2-difluoroethoxy)-3,3-difluoropyrrolidine?
The InChIKey is DYKMKLCFVJIEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F4NO/c7-5(8)2-12-4-1-11-3-6(4,9)10/h4-5,11H,1-3H2.
What are the key properties of 4-(2,2-difluoroethoxy)-3,3-difluoropyrrolidine?
4-(2,2-difluoroethoxy)-3,3-difluoropyrrolidine has a molecular weight of 187.14 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-3,3-difluoropyrrolidine is sourced from PubChem (CID 157034956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).