2,2,2-trifluoro-1-(2-fluoro-6-propan-2-ylphenyl)ethanamine

C11H13F4N — CID 134168222

IUPAC2,2,2-trifluoro-1-(2-fluoro-6-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1cccc(F)c1C(N)C(F)(F)F
InChIInChI=1S/C11H13F4N/c1-6(2)7-4-3-5-8(12)9(7)10(16)11(13,14)15/h3-6,10H,16H2,1-2H3
InChIKeyBEGVXFQOIBLQIA-UHFFFAOYSA-N
MW235.22 g/mol
LogP3.51
Rot. Bonds2

About 2,2,2-trifluoro-1-(2-fluoro-6-propan-2-ylphenyl)ethanamine

2,2,2-trifluoro-1-(2-fluoro-6-propan-2-ylphenyl)ethanamine (PubChem CID 134168222) has the molecular formula C11H13F4N and a molecular weight of 235.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-fluoro-6-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-fluoro-6-propan-2-ylphenyl)ethanamine
PubChem CID134168222
Molecular FormulaC11H13F4N
Molecular Weight235.22 g/mol
Exact Mass235.10
IUPAC Name2,2,2-trifluoro-1-(2-fluoro-6-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1cccc(F)c1C(N)C(F)(F)F
InChIInChI=1S/C11H13F4N/c1-6(2)7-4-3-5-8(12)9(7)10(16)11(13,14)15/h3-6,10H,16H2,1-2H3
InChIKeyBEGVXFQOIBLQIA-UHFFFAOYSA-N
XLogP3.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-6-fluorophenyl)-2,2,2-trifluoroethanamine
CID 77127823
1-(2,3-difluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 75480584
2,2,2-trifluoro-1-(3-fluoro-2-methylphenyl)ethanamine;hydrochloride
CID 166403152
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-6-fluorophenol;hydrochloride
CID 171245844
2-[(1S)-1-amino-2,2,2-trifluoroethyl]benzene-1,3-diol
CID 66510899
1-fluoro-3-propan-2-yl-2-[4-(trifluoromethyl)phenyl]benzene
CID 54565762
(1R)-1-[2-fluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]ethanamine
CID 102722399
(1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol
CID 28743561
1-[3-(difluoromethyl)-2-fluorophenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 169321688
2-[(1S)-1-amino-2,2-dimethylpropyl]-3-fluoroaniline
CID 130715208
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-3-methylaniline
CID 130699502
(1S)-1-(2,3-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 159492909

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-fluoro-6-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(2-fluoro-6-propan-2-ylphenyl)ethanamine (CID 134168222) is 2,2,2-trifluoro-1-(2-fluoro-6-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-fluoro-6-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(2-fluoro-6-propan-2-ylphenyl)ethanamine is CC(C)c1cccc(F)c1C(N)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2-fluoro-6-propan-2-ylphenyl)ethanamine?
The InChIKey is BEGVXFQOIBLQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N/c1-6(2)7-4-3-5-8(12)9(7)10(16)11(13,14)15/h3-6,10H,16H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-(2-fluoro-6-propan-2-ylphenyl)ethanamine?
2,2,2-trifluoro-1-(2-fluoro-6-propan-2-ylphenyl)ethanamine has a molecular weight of 235.22 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-fluoro-6-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 134168222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).