2,2-difluoro-6-[1-[1-(methoxymethyl)cyclopropyl]ethyl]-6-azaspiro[2.5]octane

C14H23F2NO — CID 177009122

IUPAC2,2-difluoro-6-[1-[1-(methoxymethyl)cyclopropyl]ethyl]-6-azaspiro[2.5]octane
SMILESCOCC1(C(C)N2CCC3(CC2)CC3(F)F)CC1
InChIInChI=1S/C14H23F2NO/c1-11(12(3-4-12)10-18-2)17-7-5-13(6-8-17)9-14(13,15)16/h11H,3-10H2,1-2H3
InChIKeyXHHJHXRIRTWDRY-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.92
Rot. Bonds4

About 2,2-difluoro-6-[1-[1-(methoxymethyl)cyclopropyl]ethyl]-6-azaspiro[2.5]octane

2,2-difluoro-6-[1-[1-(methoxymethyl)cyclopropyl]ethyl]-6-azaspiro[2.5]octane (PubChem CID 177009122) has the molecular formula C14H23F2NO and a molecular weight of 259.34 g/mol. Its IUPAC name is 2,2-difluoro-6-[1-[1-(methoxymethyl)cyclopropyl]ethyl]-6-azaspiro[2.5]octane.

Molecular Properties

Compound Name2,2-difluoro-6-[1-[1-(methoxymethyl)cyclopropyl]ethyl]-6-azaspiro[2.5]octane
PubChem CID177009122
Molecular FormulaC14H23F2NO
Molecular Weight259.34 g/mol
Exact Mass259.17
IUPAC Name2,2-difluoro-6-[1-[1-(methoxymethyl)cyclopropyl]ethyl]-6-azaspiro[2.5]octane
SMILESCOCC1(C(C)N2CCC3(CC2)CC3(F)F)CC1
InChIInChI=1S/C14H23F2NO/c1-11(12(3-4-12)10-18-2)17-7-5-13(6-8-17)9-14(13,15)16/h11H,3-10H2,1-2H3
InChIKeyXHHJHXRIRTWDRY-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-4-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167239675
1,1-difluoro-3-(methoxymethyl)-3-propan-2-ylcyclobutane
CID 171795307
1-(methoxymethyl)-1-propan-2-ylcyclobutane
CID 90167872
3-fluoro-3-(methoxymethyl)-1-propan-2-ylazetidine
CID 165149910
1-(methoxymethyl)-1-propan-2-ylcyclohexane
CID 70370924
6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octane
CID 176664237
(6S,8S)-1',1'-difluoro-8-(1-iodoethoxymethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]
CID 177009358
3-ethyl-3-(methoxymethyl)-1-propan-2-ylpyrrolidine
CID 134242781
ethane;8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 176558131
3,3-difluoro-1-(methoxymethyl)cyclobutan-1-ol;ethane
CID 143973779
2,2-difluoro-6-propan-2-ylspiro[2.5]octane
CID 169067796
CID 176776097
CID 176776097

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6-[1-[1-(methoxymethyl)cyclopropyl]ethyl]-6-azaspiro[2.5]octane?
The IUPAC name of 2,2-difluoro-6-[1-[1-(methoxymethyl)cyclopropyl]ethyl]-6-azaspiro[2.5]octane (CID 177009122) is 2,2-difluoro-6-[1-[1-(methoxymethyl)cyclopropyl]ethyl]-6-azaspiro[2.5]octane.
What is the SMILES notation for 2,2-difluoro-6-[1-[1-(methoxymethyl)cyclopropyl]ethyl]-6-azaspiro[2.5]octane?
The canonical SMILES for 2,2-difluoro-6-[1-[1-(methoxymethyl)cyclopropyl]ethyl]-6-azaspiro[2.5]octane is COCC1(C(C)N2CCC3(CC2)CC3(F)F)CC1.
What is the InChIKey of 2,2-difluoro-6-[1-[1-(methoxymethyl)cyclopropyl]ethyl]-6-azaspiro[2.5]octane?
The InChIKey is XHHJHXRIRTWDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO/c1-11(12(3-4-12)10-18-2)17-7-5-13(6-8-17)9-14(13,15)16/h11H,3-10H2,1-2H3.
What are the key properties of 2,2-difluoro-6-[1-[1-(methoxymethyl)cyclopropyl]ethyl]-6-azaspiro[2.5]octane?
2,2-difluoro-6-[1-[1-(methoxymethyl)cyclopropyl]ethyl]-6-azaspiro[2.5]octane has a molecular weight of 259.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-[1-[1-(methoxymethyl)cyclopropyl]ethyl]-6-azaspiro[2.5]octane is sourced from PubChem (CID 177009122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).