cis-(1R,2R)-2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine

C11H11ClF3NO — CID 86676669

IUPACcis-(1R,2R)-2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine
SMILESN[C@@H]1C[C@H]1COc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H11ClF3NO/c12-8-2-1-7(11(13,14)15)4-10(8)17-5-6-3-9(6)16/h1-2,4,6,9H,3,5,16H2/t6-,9+/m0/s1
InChIKeyXZLWROBTBQZRHH-IMTBSYHQSA-N
MW265.66 g/mol
LogP3.08
Rot. Bonds3

About cis-(1R,2R)-2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine

cis-(1R,2R)-2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine (PubChem CID 86676669) has the molecular formula C11H11ClF3NO and a molecular weight of 265.66 g/mol. Its IUPAC name is cis-(1R,2R)-2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1R,2R)-2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine
PubChem CID86676669
Molecular FormulaC11H11ClF3NO
Molecular Weight265.66 g/mol
Exact Mass265.05
IUPAC Namecis-(1R,2R)-2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine
SMILESN[C@@H]1C[C@H]1COc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H11ClF3NO/c12-8-2-1-7(11(13,14)15)4-10(8)17-5-6-3-9(6)16/h1-2,4,6,9H,3,5,16H2/t6-,9+/m0/s1
InChIKeyXZLWROBTBQZRHH-IMTBSYHQSA-N
XLogP3.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine?
The IUPAC name of cis-(1R,2R)-2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine (CID 86676669) is cis-(1R,2R)-2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine.
What is the SMILES notation for cis-(1R,2R)-2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine?
The canonical SMILES for cis-(1R,2R)-2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine is N[C@@H]1C[C@H]1COc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of cis-(1R,2R)-2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine?
The InChIKey is XZLWROBTBQZRHH-IMTBSYHQSA-N. The full InChI is InChI=1S/C11H11ClF3NO/c12-8-2-1-7(11(13,14)15)4-10(8)17-5-6-3-9(6)16/h1-2,4,6,9H,3,5,16H2/t6-,9+/m0/s1.
What are the key properties of cis-(1R,2R)-2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine?
cis-(1R,2R)-2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine has a molecular weight of 265.66 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine is sourced from PubChem (CID 86676669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).