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

C12H13F4N — CID 117369668

IUPAC[1-[2-fluoro-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine
SMILESNCC1(c2c(F)cccc2C(F)(F)F)CCC1
InChIInChI=1S/C12H13F4N/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
InChIKeyVRMDKGAJRJOBBQ-UHFFFAOYSA-N
MW247.23 g/mol
LogP3.22
Rot. Bonds2

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

[1-[2-fluoro-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine (PubChem CID 117369668) has the molecular formula C12H13F4N and a molecular weight of 247.23 g/mol. Its IUPAC name is [1-[2-fluoro-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[2-fluoro-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine
PubChem CID117369668
Molecular FormulaC12H13F4N
Molecular Weight247.23 g/mol
Exact Mass247.10
IUPAC Name[1-[2-fluoro-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine
SMILESNCC1(c2c(F)cccc2C(F)(F)F)CCC1
InChIInChI=1S/C12H13F4N/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
InChIKeyVRMDKGAJRJOBBQ-UHFFFAOYSA-N
XLogP3.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[2-bromo-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117492962
[1-(2,6-difluorophenyl)cyclopentyl]methanamine
CID 47002854
[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-[3-(trifluoromethyl)-2-pyridinyl]cyclobutyl]methanamine
CID 115008718
[1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]cyclobutyl]methanamine
CID 117435342
4-[1-(aminomethyl)cyclobutyl]-5-(trifluoromethyl)benzene-1,2-diol
CID 117406720
[1-(2,6-difluoro-3-methylphenyl)cyclopentyl]methanamine
CID 117323755
[1-(2-fluorophenyl)cyclopentyl]methanamine;hydrochloride
CID 74890008
[1-(2,6-dichlorophenyl)cyclobutyl]methanamine;hydrochloride
CID 86201221
2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine
CID 53403533

Frequently Asked Questions

What is the IUPAC name of [1-[2-fluoro-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[2-fluoro-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine (CID 117369668) is [1-[2-fluoro-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[2-fluoro-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[2-fluoro-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine is NCC1(c2c(F)cccc2C(F)(F)F)CCC1.
What is the InChIKey of [1-[2-fluoro-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine?
The InChIKey is VRMDKGAJRJOBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4N/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-fluoro-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine?
[1-[2-fluoro-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine has a molecular weight of 247.23 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-fluoro-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117369668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).