cis-(1S,2R)-2-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine

C11H12F3N — CID 94419814

IUPACcis-(1S,2R)-2-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine
SMILESC[C@]1(c2cccc(C(F)(F)F)c2)C[C@@H]1N
InChIInChI=1S/C11H12F3N/c1-10(6-9(10)15)7-3-2-4-8(5-7)11(12,13)14/h2-5,9H,6,15H2,1H3/t9-,10+/m0/s1
InChIKeyLYHXSSOPBPXWHE-VHSXEESVSA-N
MW215.22 g/mol
LogP2.69
Rot. Bonds1

About cis-(1S,2R)-2-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine

cis-(1S,2R)-2-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine (PubChem CID 94419814) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is cis-(1S,2R)-2-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-2-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine
PubChem CID94419814
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Namecis-(1S,2R)-2-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine
SMILESC[C@]1(c2cccc(C(F)(F)F)c2)C[C@@H]1N
InChIInChI=1S/C11H12F3N/c1-10(6-9(10)15)7-3-2-4-8(5-7)11(12,13)14/h2-5,9H,6,15H2,1H3/t9-,10+/m0/s1
InChIKeyLYHXSSOPBPXWHE-VHSXEESVSA-N
XLogP2.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine?
The IUPAC name of cis-(1S,2R)-2-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine (CID 94419814) is cis-(1S,2R)-2-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for cis-(1S,2R)-2-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for cis-(1S,2R)-2-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine is C[C@]1(c2cccc(C(F)(F)F)c2)C[C@@H]1N.
What is the InChIKey of cis-(1S,2R)-2-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine?
The InChIKey is LYHXSSOPBPXWHE-VHSXEESVSA-N. The full InChI is InChI=1S/C11H12F3N/c1-10(6-9(10)15)7-3-2-4-8(5-7)11(12,13)14/h2-5,9H,6,15H2,1H3/t9-,10+/m0/s1.
What are the key properties of cis-(1S,2R)-2-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine?
cis-(1S,2R)-2-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine has a molecular weight of 215.22 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 94419814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).