N-[2-(2,2-difluoroethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

C14H27F2NO2 — CID 103082654

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCC(C)COC1CC(NCCOCC(F)F)C1(C)C
InChIInChI=1S/C14H27F2NO2/c1-10(2)8-19-12-7-11(14(12,3)4)17-5-6-18-9-13(15)16/h10-13,17H,5-9H2,1-4H3
InChIKeyBBGIZMKFYDZXED-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.70
Rot. Bonds9

About N-[2-(2,2-difluoroethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

N-[2-(2,2-difluoroethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (PubChem CID 103082654) has the molecular formula C14H27F2NO2 and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
PubChem CID103082654
Molecular FormulaC14H27F2NO2
Molecular Weight279.37 g/mol
Exact Mass279.20
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCC(C)COC1CC(NCCOCC(F)F)C1(C)C
InChIInChI=1S/C14H27F2NO2/c1-10(2)8-19-12-7-11(14(12,3)4)17-5-6-18-9-13(15)16/h10-13,17H,5-9H2,1-4H3
InChIKeyBBGIZMKFYDZXED-UHFFFAOYSA-N
XLogP2.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.70
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

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
3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
CID 64851107
3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
CID 64852129
2,2-dimethyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
CID 64852163
2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
CID 64853307
7,7-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64862960
3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.4]octan-1-amine
CID 64865232
3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-1-amine
CID 65169613
3-ethoxy-2-ethyl-2-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
CID 65169660
3-ethoxy-2-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 65169663
3-ethoxy-2-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
CID 65170651

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (CID 103082654) is N-[2-(2,2-difluoroethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is CC(C)COC1CC(NCCOCC(F)F)C1(C)C.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The InChIKey is BBGIZMKFYDZXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2NO2/c1-10(2)8-19-12-7-11(14(12,3)4)17-5-6-18-9-13(15)16/h10-13,17H,5-9H2,1-4H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine has a molecular weight of 279.37 g/mol, XLogP of 2.70, 9 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]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is sourced from PubChem (CID 103082654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).