3,4-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine

C10H17F2NO — CID 170601618

IUPAC3,4-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
SMILESCOCC1(CN2CC(F)C(F)C2)CC1
InChIInChI=1S/C10H17F2NO/c1-14-7-10(2-3-10)6-13-4-8(11)9(12)5-13/h8-9H,2-7H2,1H3
InChIKeyPGCYGIGXPZJPAJ-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.40
Rot. Bonds4

About 3,4-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine

3,4-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine (PubChem CID 170601618) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 3,4-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine.

Molecular Properties

Compound Name3,4-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
PubChem CID170601618
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name3,4-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
SMILESCOCC1(CN2CC(F)C(F)C2)CC1
InChIInChI=1S/C10H17F2NO/c1-14-7-10(2-3-10)6-13-4-8(11)9(12)5-13/h8-9H,2-7H2,1H3
InChIKeyPGCYGIGXPZJPAJ-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Ethoxymethyl)-3-fluoro-1-methylpyrrolidine
CID 90165373
3,3-Difluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine
CID 155794157
(3S)-3-fluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine
CID 155794158
3,3-Difluoro-1-[[1-(2-methylbutan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 156061281
[1-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methyl hypoiodite
CID 156062080
[1-[(3,3-Difluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypoiodite
CID 156062281
3-Fluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
CID 164878349
[1-(Pyrrolidin-1-ylmethyl)cyclopropyl]methyl hypofluorite
CID 164878789
3,3-Difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane
CID 164879004
3,3-Difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
CID 164879005
1-[[1-(Ethoxymethyl)cyclopropyl]methyl]-3-fluoropyrrolidine
CID 164904090
[1-[(3-Fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypoiodite
CID 164904219

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine?
The IUPAC name of 3,4-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine (CID 170601618) is 3,4-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine.
What is the SMILES notation for 3,4-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine?
The canonical SMILES for 3,4-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine is COCC1(CN2CC(F)C(F)C2)CC1.
What is the InChIKey of 3,4-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine?
The InChIKey is PGCYGIGXPZJPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-14-7-10(2-3-10)6-13-4-8(11)9(12)5-13/h8-9H,2-7H2,1H3.
What are the key properties of 3,4-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine?
3,4-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine has a molecular weight of 205.25 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine is sourced from PubChem (CID 170601618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).