2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine

C12H22F3NO — CID 64853307

IUPAC2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
SMILESCC(C)COC1CC(NCC(F)(F)F)C1(C)C
InChIInChI=1S/C12H22F3NO/c1-8(2)6-17-10-5-9(11(10,3)4)16-7-12(13,14)15/h8-10,16H,5-7H2,1-4H3
InChIKeyMZTGTEPMZUBUFM-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.98
Rot. Bonds5

About 2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine

2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine (PubChem CID 64853307) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
PubChem CID64853307
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
SMILESCC(C)COC1CC(NCC(F)(F)F)C1(C)C
InChIInChI=1S/C12H22F3NO/c1-8(2)6-17-10-5-9(11(10,3)4)16-7-12(13,14)15/h8-10,16H,5-7H2,1-4H3
InChIKeyMZTGTEPMZUBUFM-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62723339
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
3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
CID 64851107
N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64851913
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 64852108
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
3-ethoxy-2,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclobutan-1-amine
CID 64852896
3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.4]octan-1-amine
CID 64863452
3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.4]octan-1-amine
CID 64863866

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine (CID 64853307) is 2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine is CC(C)COC1CC(NCC(F)(F)F)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The InChIKey is MZTGTEPMZUBUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-8(2)6-17-10-5-9(11(10,3)4)16-7-12(13,14)15/h8-10,16H,5-7H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine is sourced from PubChem (CID 64853307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).