6,6-difluoro-8-(methoxymethyl)spiro[1,3,5,7-tetrahydropyrrolizine-2,1'-cyclopropane]

C11H17F2NO — CID 170767541

IUPAC6,6-difluoro-8-(methoxymethyl)spiro[1,3,5,7-tetrahydropyrrolizine-2,1'-cyclopropane]
SMILESCOCC12CC(F)(F)CN1CC1(CC1)C2
InChIInChI=1S/C11H17F2NO/c1-15-8-10-4-9(2-3-9)6-14(10)7-11(12,13)5-10/h2-8H2,1H3
InChIKeyUBOVIEMCSSSKRT-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.90
Rot. Bonds2

About 6,6-difluoro-8-(methoxymethyl)spiro[1,3,5,7-tetrahydropyrrolizine-2,1'-cyclopropane]

6,6-difluoro-8-(methoxymethyl)spiro[1,3,5,7-tetrahydropyrrolizine-2,1'-cyclopropane] (PubChem CID 170767541) has the molecular formula C11H17F2NO and a molecular weight of 217.26 g/mol. Its IUPAC name is 6,6-difluoro-8-(methoxymethyl)spiro[1,3,5,7-tetrahydropyrrolizine-2,1'-cyclopropane].

Molecular Properties

Compound Name6,6-difluoro-8-(methoxymethyl)spiro[1,3,5,7-tetrahydropyrrolizine-2,1'-cyclopropane]
PubChem CID170767541
Molecular FormulaC11H17F2NO
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name6,6-difluoro-8-(methoxymethyl)spiro[1,3,5,7-tetrahydropyrrolizine-2,1'-cyclopropane]
SMILESCOCC12CC(F)(F)CN1CC1(CC1)C2
InChIInChI=1S/C11H17F2NO/c1-15-8-10-4-9(2-3-9)6-14(10)7-11(12,13)5-10/h2-8H2,1H3
InChIKeyUBOVIEMCSSSKRT-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-8-(methoxymethyl)spiro[1,3,5,7-tetrahydropyrrolizine-2,1'-cyclopropane]?
The IUPAC name of 6,6-difluoro-8-(methoxymethyl)spiro[1,3,5,7-tetrahydropyrrolizine-2,1'-cyclopropane] (CID 170767541) is 6,6-difluoro-8-(methoxymethyl)spiro[1,3,5,7-tetrahydropyrrolizine-2,1'-cyclopropane].
What is the SMILES notation for 6,6-difluoro-8-(methoxymethyl)spiro[1,3,5,7-tetrahydropyrrolizine-2,1'-cyclopropane]?
The canonical SMILES for 6,6-difluoro-8-(methoxymethyl)spiro[1,3,5,7-tetrahydropyrrolizine-2,1'-cyclopropane] is COCC12CC(F)(F)CN1CC1(CC1)C2.
What is the InChIKey of 6,6-difluoro-8-(methoxymethyl)spiro[1,3,5,7-tetrahydropyrrolizine-2,1'-cyclopropane]?
The InChIKey is UBOVIEMCSSSKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO/c1-15-8-10-4-9(2-3-9)6-14(10)7-11(12,13)5-10/h2-8H2,1H3.
What are the key properties of 6,6-difluoro-8-(methoxymethyl)spiro[1,3,5,7-tetrahydropyrrolizine-2,1'-cyclopropane]?
6,6-difluoro-8-(methoxymethyl)spiro[1,3,5,7-tetrahydropyrrolizine-2,1'-cyclopropane] has a molecular weight of 217.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-8-(methoxymethyl)spiro[1,3,5,7-tetrahydropyrrolizine-2,1'-cyclopropane] is sourced from PubChem (CID 170767541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).