3,3,3-trifluoro-1-(3-methylphenyl)-2-(trifluoromethyl)propan-1-amine

C11H11F6N — CID 103311689

IUPAC3,3,3-trifluoro-1-(3-methylphenyl)-2-(trifluoromethyl)propan-1-amine
SMILESCc1cccc(C(N)C(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C11H11F6N/c1-6-3-2-4-7(5-6)8(18)9(10(12,13)14)11(15,16)17/h2-5,8-9H,18H2,1H3
InChIKeyZBPJIISMTBCHDI-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.74
Rot. Bonds2

About 3,3,3-trifluoro-1-(3-methylphenyl)-2-(trifluoromethyl)propan-1-amine

3,3,3-trifluoro-1-(3-methylphenyl)-2-(trifluoromethyl)propan-1-amine (PubChem CID 103311689) has the molecular formula C11H11F6N and a molecular weight of 271.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(3-methylphenyl)-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(3-methylphenyl)-2-(trifluoromethyl)propan-1-amine
PubChem CID103311689
Molecular FormulaC11H11F6N
Molecular Weight271.20 g/mol
Exact Mass271.08
IUPAC Name3,3,3-trifluoro-1-(3-methylphenyl)-2-(trifluoromethyl)propan-1-amine
SMILESCc1cccc(C(N)C(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C11H11F6N/c1-6-3-2-4-7(5-6)8(18)9(10(12,13)14)11(15,16)17/h2-5,8-9H,18H2,1H3
InChIKeyZBPJIISMTBCHDI-UHFFFAOYSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine
CID 45072365
3,3,3-trifluoro-2-(3-methylphenyl)propan-1-amine
CID 79016159
1-(3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 116945810
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine
CID 93312698
(1R)-3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171209879
ethane;3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine
CID 156724875
(1S,3S)-3-amino-4,4,4-trifluoro-1-(3-methylphenyl)butan-1-ol
CID 171237190
(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171249716
4,4,4-trifluoro-1-(3-methylphenyl)-3-(trifluoromethyl)butan-2-amine
CID 103311693
1-methyl-3-(1,2,2-trifluoroethyl)benzene
CID 147922323
1-(difluoromethyl)-3-methylbenzene;ethane;1,3-xylene
CID 177243602

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(3-methylphenyl)-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(3-methylphenyl)-2-(trifluoromethyl)propan-1-amine (CID 103311689) is 3,3,3-trifluoro-1-(3-methylphenyl)-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(3-methylphenyl)-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(3-methylphenyl)-2-(trifluoromethyl)propan-1-amine is Cc1cccc(C(N)C(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of 3,3,3-trifluoro-1-(3-methylphenyl)-2-(trifluoromethyl)propan-1-amine?
The InChIKey is ZBPJIISMTBCHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6N/c1-6-3-2-4-7(5-6)8(18)9(10(12,13)14)11(15,16)17/h2-5,8-9H,18H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(3-methylphenyl)-2-(trifluoromethyl)propan-1-amine?
3,3,3-trifluoro-1-(3-methylphenyl)-2-(trifluoromethyl)propan-1-amine has a molecular weight of 271.20 g/mol, XLogP of 3.74, 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-(3-methylphenyl)-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103311689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).