3-(2,2-difluoroethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine

C15H27F2NO3 — CID 103149235

IUPAC3-(2,2-difluoroethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine
SMILESCNC(CCOCC(F)F)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H27F2NO3/c1-18-13(3-6-20-11-14(16)17)12-2-7-21-15(10-12)4-8-19-9-5-15/h12-14,18H,2-11H2,1H3
InChIKeyKAQGVRJAJMFMFH-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.22
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine

3-(2,2-difluoroethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine (PubChem CID 103149235) has the molecular formula C15H27F2NO3 and a molecular weight of 307.38 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine
PubChem CID103149235
Molecular FormulaC15H27F2NO3
Molecular Weight307.38 g/mol
Exact Mass307.20
IUPAC Name3-(2,2-difluoroethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine
SMILESCNC(CCOCC(F)F)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H27F2NO3/c1-18-13(3-6-20-11-14(16)17)12-2-7-21-15(10-12)4-8-19-9-5-15/h12-14,18H,2-11H2,1H3
InChIKeyKAQGVRJAJMFMFH-UHFFFAOYSA-N
XLogP2.22
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-difluoroethoxy)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpropan-1-amine
CID 103149172
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215832
[3-(2,2-difluoroethoxy)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propyl]hydrazine
CID 103151883
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346448
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-3-propoxypropan-1-amine
CID 105169809
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-methylsulfanylethanamine
CID 79915523
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 79907265
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methoxy-N-methylbutan-1-amine
CID 79914979
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxypropyl]hydrazine
CID 105206283
3-(2,2-difluoroethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 103148828
3-methoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914460
2-methoxy-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79915502

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine (CID 103149235) is 3-(2,2-difluoroethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine is CNC(CCOCC(F)F)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine?
The InChIKey is KAQGVRJAJMFMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2NO3/c1-18-13(3-6-20-11-14(16)17)12-2-7-21-15(10-12)4-8-19-9-5-15/h12-14,18H,2-11H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine?
3-(2,2-difluoroethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine has a molecular weight of 307.38 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 103149235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).