[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium

C10H13F3N+ — CID 38988975

IUPAC[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
SMILESC[C@@H]([NH3+])Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3/p+1/t7-/m1/s1
InChIKeyMLBHFBKZUPLWBD-SSDOTTSWSA-O
MW204.22 g/mol
LogP1.88
Rot. Bonds2

About [(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium

[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium (PubChem CID 38988975) has the molecular formula C10H13F3N+ and a molecular weight of 204.22 g/mol. Its IUPAC name is [(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium.

Molecular Properties

Compound Name[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
PubChem CID38988975
Molecular FormulaC10H13F3N+
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
SMILESC[C@@H]([NH3+])Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3/p+1/t7-/m1/s1
InChIKeyMLBHFBKZUPLWBD-SSDOTTSWSA-O
XLogP1.88
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 105495790
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 55095731
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 79617375
N-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydron
CID 175261981
(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 96706913
1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 66468158
2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol
CID 66058572
N-ethyl-1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 62603541
N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 62600569

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium?
The IUPAC name of [(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium (CID 38988975) is [(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium.
What is the SMILES notation for [(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium?
The canonical SMILES for [(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium is C[C@@H]([NH3+])Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of [(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium?
The InChIKey is MLBHFBKZUPLWBD-SSDOTTSWSA-O. The full InChI is InChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3/p+1/t7-/m1/s1.
What are the key properties of [(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium?
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium has a molecular weight of 204.22 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium is sourced from PubChem (CID 38988975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).