N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine

C15H27F2NO2 — CID 103082761

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCCOCC(F)F)C12CCCCC2
InChIInChI=1S/C15H27F2NO2/c1-2-20-13-10-12(15(13)6-4-3-5-7-15)18-8-9-19-11-14(16)17/h12-14,18H,2-11H2,1H3
InChIKeyPWQWGRMCCXYRMU-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.99
Rot. Bonds8

About N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine

N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine (PubChem CID 103082761) has the molecular formula C15H27F2NO2 and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine
PubChem CID103082761
Molecular FormulaC15H27F2NO2
Molecular Weight291.38 g/mol
Exact Mass291.20
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCCOCC(F)F)C12CCCCC2
InChIInChI=1S/C15H27F2NO2/c1-2-20-13-10-12(15(13)6-4-3-5-7-15)18-8-9-19-11-14(16)17/h12-14,18H,2-11H2,1H3
InChIKeyPWQWGRMCCXYRMU-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-2-amine
CID 55106739
N-ethyl-4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61755493
4-tert-butyl-N-ethyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61756303
4-tert-butyl-N-propyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61757104
2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]ethanamine
CID 62724991
2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine
CID 62725384
2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
CID 64102732
4,4-dimethyl-N-propyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 64415779
N-ethyl-4,4-dimethyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 64415976
3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 64850373
2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 64850406
N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64850750

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine (CID 103082761) is N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine is CCOC1CC(NCCOCC(F)F)C12CCCCC2.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine?
The InChIKey is PWQWGRMCCXYRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2NO2/c1-2-20-13-10-12(15(13)6-4-3-5-7-15)18-8-9-19-11-14(16)17/h12-14,18H,2-11H2,1H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine has a molecular weight of 291.38 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine is sourced from PubChem (CID 103082761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).