trans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid

C12H14F3NO2 — CID 118483746

IUPACtrans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid
SMILESC[C@]1(N)C[C@@H]1c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H13N.C2HF3O2/c1-10(11)7-9(10)8-5-3-2-4-6-8;3-2(4,5)1(6)7/h2-6,9H,7,11H2,1H3;(H,6,7)/t9-,10+;/m1./s1
InChIKeyRSNSLXQASROALT-UXQCFNEQSA-N
MW261.24 g/mol
LogP2.52
Rot. Bonds1

About trans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid

trans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid (PubChem CID 118483746) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is trans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nametrans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid
PubChem CID118483746
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Nametrans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid
SMILESC[C@]1(N)C[C@@H]1c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H13N.C2HF3O2/c1-10(11)7-9(10)8-5-3-2-4-6-8;3-2(4,5)1(6)7/h2-6,9H,7,11H2,1H3;(H,6,7)/t9-,10+;/m1./s1
InChIKeyRSNSLXQASROALT-UXQCFNEQSA-N
XLogP2.52
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of trans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid (CID 118483746) is trans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for trans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for trans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid is C[C@]1(N)C[C@@H]1c1ccccc1.O=C(O)C(F)(F)F.
What is the InChIKey of trans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid?
The InChIKey is RSNSLXQASROALT-UXQCFNEQSA-N. The full InChI is InChI=1S/C10H13N.C2HF3O2/c1-10(11)7-9(10)8-5-3-2-4-6-8;3-2(4,5)1(6)7/h2-6,9H,7,11H2,1H3;(H,6,7)/t9-,10+;/m1./s1.
What are the key properties of trans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid?
trans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid has a molecular weight of 261.24 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118483746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).