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

C10H9F6N — CID 96706913

IUPAC(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESN[C@@H](Cc1cccc(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C10H9F6N/c11-9(12,13)7-3-1-2-6(4-7)5-8(17)10(14,15)16/h1-4,8H,5,17H2/t8-/m0/s1
InChIKeyGOFBUJOXIFLMHB-QMMMGPOBSA-N
MW257.18 g/mol
LogP3.14
Rot. Bonds2

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

(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 96706913) has the molecular formula C10H9F6N and a molecular weight of 257.18 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID96706913
Molecular FormulaC10H9F6N
Molecular Weight257.18 g/mol
Exact Mass257.06
IUPAC Name(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESN[C@@H](Cc1cccc(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C10H9F6N/c11-9(12,13)7-3-1-2-6(4-7)5-8(17)10(14,15)16/h1-4,8H,5,17H2/t8-/m0/s1
InChIKeyGOFBUJOXIFLMHB-QMMMGPOBSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 55095731
3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 105495790
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride
CID 70396807
1-(3,5-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62605037
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 66468158
1-(2,2,2-trifluoroethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 103214868
2-[[3-(trifluoromethyl)phenyl]methyl]propanedinitrile
CID 56649771
2-bromo-3-[3-(trifluoromethyl)phenyl]propanamide
CID 104513003

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of (2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine (CID 96706913) is (2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for (2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for (2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine is N[C@@H](Cc1cccc(C(F)(F)F)c1)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is GOFBUJOXIFLMHB-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H9F6N/c11-9(12,13)7-3-1-2-6(4-7)5-8(17)10(14,15)16/h1-4,8H,5,17H2/t8-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 257.18 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 96706913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).