1,2-dimethyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid

C13H16F3NO2 — CID 118483696

IUPAC1,2-dimethyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid
SMILESCC1(N)CC1(C)c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H15N.C2HF3O2/c1-10(8-11(10,2)12)9-6-4-3-5-7-9;3-2(4,5)1(6)7/h3-7H,8,12H2,1-2H3;(H,6,7)
InChIKeyYEEBDUNLSCSCDS-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.70
Rot. Bonds1

About 1,2-dimethyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid

1,2-dimethyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid (PubChem CID 118483696) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 1,2-dimethyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1,2-dimethyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid
PubChem CID118483696
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name1,2-dimethyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid
SMILESCC1(N)CC1(C)c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H15N.C2HF3O2/c1-10(8-11(10,2)12)9-6-4-3-5-7-9;3-2(4,5)1(6)7/h3-7H,8,12H2,1-2H3;(H,6,7)
InChIKeyYEEBDUNLSCSCDS-UHFFFAOYSA-N
XLogP2.70
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1,2-dimethyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid (CID 118483696) is 1,2-dimethyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1,2-dimethyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1,2-dimethyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid is CC1(N)CC1(C)c1ccccc1.O=C(O)C(F)(F)F.
What is the InChIKey of 1,2-dimethyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid?
The InChIKey is YEEBDUNLSCSCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C2HF3O2/c1-10(8-11(10,2)12)9-6-4-3-5-7-9;3-2(4,5)1(6)7/h3-7H,8,12H2,1-2H3;(H,6,7).
What are the key properties of 1,2-dimethyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid?
1,2-dimethyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid has a molecular weight of 275.27 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118483696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).