3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine

C10H17F2NO — CID 164879005

IUPAC3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
SMILESCOCC1(CN2CCC(F)(F)C2)CC1
InChIInChI=1S/C10H17F2NO/c1-14-8-9(2-3-9)6-13-5-4-10(11,12)7-13/h2-8H2,1H3
InChIKeyMGIRERRKWNKORK-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.75
Rot. Bonds4

About 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine

3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine (PubChem CID 164879005) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
PubChem CID164879005
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
SMILESCOCC1(CN2CCC(F)(F)C2)CC1
InChIInChI=1S/C10H17F2NO/c1-14-8-9(2-3-9)6-13-5-4-10(11,12)7-13/h2-8H2,1H3
InChIKeyMGIRERRKWNKORK-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine?
The IUPAC name of 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine (CID 164879005) is 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine?
The canonical SMILES for 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine is COCC1(CN2CCC(F)(F)C2)CC1.
What is the InChIKey of 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine?
The InChIKey is MGIRERRKWNKORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-14-8-9(2-3-9)6-13-5-4-10(11,12)7-13/h2-8H2,1H3.
What are the key properties of 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine?
3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine has a molecular weight of 205.25 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine is sourced from PubChem (CID 164879005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).