2,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine

C13H16F3NO — CID 81415060

IUPAC2,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine
SMILESCC1(C)C(N)CC1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H16F3NO/c1-12(2)10(7-11(12)17)8-4-3-5-9(6-8)18-13(14,15)16/h3-6,10-11H,7,17H2,1-2H3
InChIKeyJUIBJWQIZZCOOF-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.43
Rot. Bonds2

About 2,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine

2,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine (PubChem CID 81415060) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 2,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine
PubChem CID81415060
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine
SMILESCC1(C)C(N)CC1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H16F3NO/c1-12(2)10(7-11(12)17)8-4-3-5-9(6-8)18-13(14,15)16/h3-6,10-11H,7,17H2,1-2H3
InChIKeyJUIBJWQIZZCOOF-UHFFFAOYSA-N
XLogP3.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,2-trimethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine
CID 81417291
2,2-diethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 81415026
4,4,5,5-tetramethyl-2-[(1S)-2-[3-(trifluoromethoxy)phenyl]cyclopropyl]-1,3,2-dioxaborolane
CID 176660363
2-methyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 81416661
bis[3-(trifluoromethoxy)phenyl]iodanium
CID 175669102
2-[3-(trifluoromethoxy)phenyl]adamantane
CID 91149986
(6R)-6-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane;hydrochloride
CID 175919303
6-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane;hydrochloride
CID 163218641
(1S,2S,5S)-2-methoxy-N,N-dimethyl-5-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine
CID 153367544
2,2-dimethyl-3-[3-(trifluoromethoxy)anilino]cyclobutan-1-ol
CID 112633237
2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine
CID 66359024
(1S,5R)-6-[3-(trifluoromethoxy)phenyl]-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 166708564

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine?
The IUPAC name of 2,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine (CID 81415060) is 2,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine is CC1(C)C(N)CC1c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine?
The InChIKey is JUIBJWQIZZCOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-12(2)10(7-11(12)17)8-4-3-5-9(6-8)18-13(14,15)16/h3-6,10-11H,7,17H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine?
2,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine has a molecular weight of 259.27 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 81415060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).