(1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine

C10H9F6N — CID 103693880

IUPAC(1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine
SMILESN[C@@H](CC(F)(F)F)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H9F6N/c11-9(12,13)5-8(17)6-3-1-2-4-7(6)10(14,15)16/h1-4,8H,5,17H2/t8-/m0/s1
InChIKeyOPIOPQJAYMGIAD-QMMMGPOBSA-N
MW257.18 g/mol
LogP3.66
Rot. Bonds2

About (1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine

(1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 103693880) has the molecular formula C10H9F6N and a molecular weight of 257.18 g/mol. Its IUPAC name is (1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID103693880
Molecular FormulaC10H9F6N
Molecular Weight257.18 g/mol
Exact Mass257.06
IUPAC Name(1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine
SMILESN[C@@H](CC(F)(F)F)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H9F6N/c11-9(12,13)5-8(17)6-3-1-2-4-7(6)10(14,15)16/h1-4,8H,5,17H2/t8-/m0/s1
InChIKeyOPIOPQJAYMGIAD-QMMMGPOBSA-N
XLogP3.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 13034547
(1R)-3,3,3-trifluoro-1-(2-fluorophenyl)propan-1-amine
CID 103693865
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
(1R)-1-(2-bromophenyl)-3,3,3-trifluoropropan-1-amine
CID 97290639
2-amino-2-[2-(trifluoromethyl)phenyl]ethanol;methane
CID 160725618
3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine
CID 62790893
(1S)-3,3-difluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313078
(1R)-3,3-difluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313711
1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene
CID 173071472
(1S)-3-methyl-1-[2-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 171226257
(1R)-3-methyl-1-[2-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 171206682
2-(4-chlorophenoxy)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 105145392

Frequently Asked Questions

What is the IUPAC name of (1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of (1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine (CID 103693880) is (1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for (1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for (1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine is N[C@@H](CC(F)(F)F)c1ccccc1C(F)(F)F.
What is the InChIKey of (1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is OPIOPQJAYMGIAD-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H9F6N/c11-9(12,13)5-8(17)6-3-1-2-4-7(6)10(14,15)16/h1-4,8H,5,17H2/t8-/m0/s1.
What are the key properties of (1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
(1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 257.18 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 103693880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).