2-(ethoxymethyl)-4-fluoropyrrolidine

C7H14FNO — CID 77151097

IUPAC2-(ethoxymethyl)-4-fluoropyrrolidine
SMILESCCOCC1CC(F)CN1
InChIInChI=1S/C7H14FNO/c1-2-10-5-7-3-6(8)4-9-7/h6-7,9H,2-5H2,1H3
InChIKeyZATDHEAYANQSJS-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.72
Rot. Bonds3

About 2-(ethoxymethyl)-4-fluoropyrrolidine

2-(ethoxymethyl)-4-fluoropyrrolidine (PubChem CID 77151097) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4-fluoropyrrolidine.

Molecular Properties

Compound Name2-(ethoxymethyl)-4-fluoropyrrolidine
PubChem CID77151097
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name2-(ethoxymethyl)-4-fluoropyrrolidine
SMILESCCOCC1CC(F)CN1
InChIInChI=1S/C7H14FNO/c1-2-10-5-7-3-6(8)4-9-7/h6-7,9H,2-5H2,1H3
InChIKeyZATDHEAYANQSJS-UHFFFAOYSA-N
XLogP0.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Methoxymethyl)pyrrolidine
CID 143953
(S)-(+)-2-(Methoxymethyl)pyrrolidine
CID 671217
(2R)-2-(Methoxymethyl)pyrrolidine
CID 671216
(2R)-2-(methoxymethyl)pyrrolidine hydrochloride
CID 71642899
(2S)-2-(methoxymethyl)pyrrolidine hydrochloride
CID 71741490
2-(Methoxymethyl)pyrrolidine hydrochloride
CID 71755371
2-((Difluoromethoxy)methyl)pyrrolidine
CID 114782795
(2R)-2-((trifluoromethoxy)methyl)pyrrolidine hydrochloride
CID 91926302
(2S,4S)-2-(fluoromethyl)-4-methoxypyrrolidine hydrochloride
CID 137838555
(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidine hydrochloride
CID 146049396
(2S)-2-[(difluoromethoxy)methyl]pyrrolidine hydrochloride
CID 155819918
(2R)-2-[(difluoromethoxy)methyl]pyrrolidine hydrochloride
CID 155820019

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4-fluoropyrrolidine?
The IUPAC name of 2-(ethoxymethyl)-4-fluoropyrrolidine (CID 77151097) is 2-(ethoxymethyl)-4-fluoropyrrolidine.
What is the SMILES notation for 2-(ethoxymethyl)-4-fluoropyrrolidine?
The canonical SMILES for 2-(ethoxymethyl)-4-fluoropyrrolidine is CCOCC1CC(F)CN1.
What is the InChIKey of 2-(ethoxymethyl)-4-fluoropyrrolidine?
The InChIKey is ZATDHEAYANQSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-2-10-5-7-3-6(8)4-9-7/h6-7,9H,2-5H2,1H3.
What are the key properties of 2-(ethoxymethyl)-4-fluoropyrrolidine?
2-(ethoxymethyl)-4-fluoropyrrolidine has a molecular weight of 147.19 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4-fluoropyrrolidine is sourced from PubChem (CID 77151097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).