3-(ethoxymethyl)-3-fluoropyrrolidine

C7H14FNO — CID 90165371

IUPAC3-(ethoxymethyl)-3-fluoropyrrolidine
SMILESCCOCC1(F)CCNC1
InChIInChI=1S/C7H14FNO/c1-2-10-6-7(8)3-4-9-5-7/h9H,2-6H2,1H3
InChIKeyNZYLJHBWHGMIMT-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.72
Rot. Bonds3

About 3-(ethoxymethyl)-3-fluoropyrrolidine

3-(ethoxymethyl)-3-fluoropyrrolidine (PubChem CID 90165371) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 3-(ethoxymethyl)-3-fluoropyrrolidine.

Molecular Properties

Compound Name3-(ethoxymethyl)-3-fluoropyrrolidine
PubChem CID90165371
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name3-(ethoxymethyl)-3-fluoropyrrolidine
SMILESCCOCC1(F)CCNC1
InChIInChI=1S/C7H14FNO/c1-2-10-6-7(8)3-4-9-5-7/h9H,2-6H2,1H3
InChIKeyNZYLJHBWHGMIMT-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

N-Ethyltetrahydro-3-furanmethanamine
CID 22355252
Methyl[(oxolan-3-yl)methyl]amine
CID 16228714
3-(Methoxymethyl)pyrrolidine
CID 22993433
3-(Ethoxymethyl)pyrrolidine
CID 45075569
3-(Methoxymethyl)pyrrolidine hydrochloride
CID 46735760
(S)-3-(methoxymethyl)pyrrolidine hydrochloride
CID 71642900
3-[(Difluoromethoxy)methyl]pyrrolidine
CID 84716441
(R)-3-(Methoxymethyl)pyrrolidine hydrochloride
CID 91933778
Methyl[(oxolan-3-yl)methyl]amine hydrochloride
CID 127263582
3-(Methoxymethyl)-3-methylpyrrolidine
CID 59540797
3-(Trifluoromethoxymethyl)pyrrolidine
CID 86812441
(3S)-3-[fluoro(methoxy)methyl]pyrrolidine
CID 91449518

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-3-fluoropyrrolidine?
The IUPAC name of 3-(ethoxymethyl)-3-fluoropyrrolidine (CID 90165371) is 3-(ethoxymethyl)-3-fluoropyrrolidine.
What is the SMILES notation for 3-(ethoxymethyl)-3-fluoropyrrolidine?
The canonical SMILES for 3-(ethoxymethyl)-3-fluoropyrrolidine is CCOCC1(F)CCNC1.
What is the InChIKey of 3-(ethoxymethyl)-3-fluoropyrrolidine?
The InChIKey is NZYLJHBWHGMIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-2-10-6-7(8)3-4-9-5-7/h9H,2-6H2,1H3.
What are the key properties of 3-(ethoxymethyl)-3-fluoropyrrolidine?
3-(ethoxymethyl)-3-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 3-(ethoxymethyl)-3-fluoropyrrolidine is sourced from PubChem (CID 90165371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).