[1-[2-bromo-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine

C12H13BrF3N — CID 117492962

IUPAC[1-[2-bromo-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine
SMILESNCC1(c2c(Br)cccc2C(F)(F)F)CCC1
InChIInChI=1S/C12H13BrF3N/c13-9-4-1-3-8(12(14,15)16)10(9)11(7-17)5-2-6-11/h1,3-4H,2,5-7,17H2
InChIKeyHTVZHJOYUKFFLA-UHFFFAOYSA-N
MW308.14 g/mol
LogP3.85
Rot. Bonds2

About [1-[2-bromo-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine

[1-[2-bromo-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine (PubChem CID 117492962) has the molecular formula C12H13BrF3N and a molecular weight of 308.14 g/mol. Its IUPAC name is [1-[2-bromo-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[2-bromo-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine
PubChem CID117492962
Molecular FormulaC12H13BrF3N
Molecular Weight308.14 g/mol
Exact Mass307.02
IUPAC Name[1-[2-bromo-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine
SMILESNCC1(c2c(Br)cccc2C(F)(F)F)CCC1
InChIInChI=1S/C12H13BrF3N/c13-9-4-1-3-8(12(14,15)16)10(9)11(7-17)5-2-6-11/h1,3-4H,2,5-7,17H2
InChIKeyHTVZHJOYUKFFLA-UHFFFAOYSA-N
XLogP3.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[2-fluoro-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117369668
[1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopentyl]methanamine
CID 117396517
[1-[2-methyl-6-(trifluoromethyl)phenyl]cyclohexyl]methanamine
CID 117431185
[1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 117330254
[1-[2-bromo-6-(methoxymethyl)phenyl]cyclobutyl]methanamine
CID 117457397
[1-[3-(trifluoromethyl)-2-pyridinyl]cyclobutyl]methanamine
CID 115008718
[1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]cyclobutyl]methanamine
CID 117435342
[1-(3-bromo-2-fluorophenyl)cyclohexyl]methanamine
CID 117461246
[2-bromo-6-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 119018838
[1-(2,6-difluorophenyl)cyclopentyl]methanamine
CID 47002854
[1-(2-bromophenyl)cycloheptyl]methanamine
CID 62829513
[1-(2,6-dichlorophenyl)cyclobutyl]methanamine;hydrochloride
CID 86201221

Frequently Asked Questions

What is the IUPAC name of [1-[2-bromo-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[2-bromo-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine (CID 117492962) is [1-[2-bromo-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[2-bromo-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[2-bromo-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine is NCC1(c2c(Br)cccc2C(F)(F)F)CCC1.
What is the InChIKey of [1-[2-bromo-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine?
The InChIKey is HTVZHJOYUKFFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3N/c13-9-4-1-3-8(12(14,15)16)10(9)11(7-17)5-2-6-11/h1,3-4H,2,5-7,17H2.
What are the key properties of [1-[2-bromo-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine?
[1-[2-bromo-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine has a molecular weight of 308.14 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-bromo-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117492962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).