3,3,3-trifluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine

C11H13F4N — CID 106881387

IUPAC3,3,3-trifluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
SMILESCc1cc(C)c(C(N)CC(F)(F)F)c(F)c1
InChIInChI=1S/C11H13F4N/c1-6-3-7(2)10(8(12)4-6)9(16)5-11(13,14)15/h3-4,9H,5,16H2,1-2H3
InChIKeyOQJOTTMPGBAMBM-UHFFFAOYSA-N
MW235.22 g/mol
LogP3.39
Rot. Bonds2

About 3,3,3-trifluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine

3,3,3-trifluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine (PubChem CID 106881387) has the molecular formula C11H13F4N and a molecular weight of 235.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
PubChem CID106881387
Molecular FormulaC11H13F4N
Molecular Weight235.22 g/mol
Exact Mass235.10
IUPAC Name3,3,3-trifluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
SMILESCc1cc(C)c(C(N)CC(F)(F)F)c(F)c1
InChIInChI=1S/C11H13F4N/c1-6-3-7(2)10(8(12)4-6)9(16)5-11(13,14)15/h3-4,9H,5,16H2,1-2H3
InChIKeyOQJOTTMPGBAMBM-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanamine
CID 106881398
(1R)-1-(4-chloro-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 131403549
(1R)-1-(4-chloro-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171210934
(1S)-1-(2,6-dimethoxy-4-methylphenyl)-3,3,3-trifluoropropan-1-amine
CID 171235561
2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883395
5,5,5-trifluoro-1-(2,4,6-trimethylphenyl)pentan-1-amine
CID 105024104
(1R)-1-(2,4-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
CID 28500791
2-cycloheptyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883593
2-fluoro-2-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106882935
(2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 106881261
3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine
CID 62790891
1-(2-fluoro-4,6-dimethylphenyl)-3-phenoxypropan-1-amine
CID 106881236

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine (CID 106881387) is 3,3,3-trifluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine is Cc1cc(C)c(C(N)CC(F)(F)F)c(F)c1.
What is the InChIKey of 3,3,3-trifluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine?
The InChIKey is OQJOTTMPGBAMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N/c1-6-3-7(2)10(8(12)4-6)9(16)5-11(13,14)15/h3-4,9H,5,16H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine?
3,3,3-trifluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine has a molecular weight of 235.22 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 106881387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).