1',1'-difluoro-3'-(oxolan-2-yl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]

C13H19F2NO — CID 126845573

IUPAC1',1'-difluoro-3'-(oxolan-2-yl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]
SMILESFC1(F)C(C2CCCO2)C12CC1CCC(C2)N1
InChIInChI=1S/C13H19F2NO/c14-13(15)11(10-2-1-5-17-10)12(13)6-8-3-4-9(7-12)16-8/h8-11,16H,1-7H2
InChIKeyBOHOMJCFFLXTNV-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.33
Rot. Bonds1

About 1',1'-difluoro-3'-(oxolan-2-yl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]

1',1'-difluoro-3'-(oxolan-2-yl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane] (PubChem CID 126845573) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 1',1'-difluoro-3'-(oxolan-2-yl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane].

Molecular Properties

Compound Name1',1'-difluoro-3'-(oxolan-2-yl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]
PubChem CID126845573
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name1',1'-difluoro-3'-(oxolan-2-yl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]
SMILESFC1(F)C(C2CCCO2)C12CC1CCC(C2)N1
InChIInChI=1S/C13H19F2NO/c14-13(15)11(10-2-1-5-17-10)12(13)6-8-3-4-9(7-12)16-8/h8-11,16H,1-7H2
InChIKeyBOHOMJCFFLXTNV-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1',1'-difluoro-3'-(oxolan-2-yl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane] with MolForge

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Related Compounds

3-[2-(1,3-dioxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171958451
2-(oxiran-2-yl)oxolane
CID 18759351
3-cyclohexyl-3-fluoro-8-azabicyclo[3.2.1]octane
CID 112564625
3-fluoro-3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride
CID 68756269
2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane
CID 23848053
(3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole
CID 96637802
(1R,3S,5R,7S,12R,14S,17R,19S,21R,23S,28R,31S)-4,8,13,18,22,27,32-heptaoxaheptacyclo[17.13.0.03,17.05,14.07,12.021,31.023,28]dotriacontane
CID 101162206
2'-(iodomethyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-oxolane]
CID 165483064
3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane
CID 112564653
3-methyl-4-(oxolan-2-yl)pyrrolidin-2-one
CID 131123608
2,6-dioxabicyclo[5.1.0]octane
CID 118210494
7,7-difluoro-2-oxa-5-azabicyclo[4.2.0]octane
CID 123311526

Frequently Asked Questions

What is the IUPAC name of 1',1'-difluoro-3'-(oxolan-2-yl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]?
The IUPAC name of 1',1'-difluoro-3'-(oxolan-2-yl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane] (CID 126845573) is 1',1'-difluoro-3'-(oxolan-2-yl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane].
What is the SMILES notation for 1',1'-difluoro-3'-(oxolan-2-yl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]?
The canonical SMILES for 1',1'-difluoro-3'-(oxolan-2-yl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane] is FC1(F)C(C2CCCO2)C12CC1CCC(C2)N1.
What is the InChIKey of 1',1'-difluoro-3'-(oxolan-2-yl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]?
The InChIKey is BOHOMJCFFLXTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c14-13(15)11(10-2-1-5-17-10)12(13)6-8-3-4-9(7-12)16-8/h8-11,16H,1-7H2.
What are the key properties of 1',1'-difluoro-3'-(oxolan-2-yl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]?
1',1'-difluoro-3'-(oxolan-2-yl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane] has a molecular weight of 243.30 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1',1'-difluoro-3'-(oxolan-2-yl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane] is sourced from PubChem (CID 126845573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).