cis-(1S,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride

C12H15ClF3NO — CID 118732676

IUPACcis-(1S,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride
SMILESCC[C@]1(N)C[C@@H]1c1ccc(OC(F)(F)F)cc1.Cl
InChIInChI=1S/C12H14F3NO.ClH/c1-2-11(16)7-10(11)8-3-5-9(6-4-8)17-12(13,14)15;/h3-6,10H,2,7,16H2,1H3;1H/t10-,11+;/m1./s1
InChIKeyOIVOGNGBKMUQJW-DHXVBOOMSA-N
MW281.71 g/mol
LogP3.60
Rot. Bonds3

About cis-(1S,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride

cis-(1S,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride (PubChem CID 118732676) has the molecular formula C12H15ClF3NO and a molecular weight of 281.71 g/mol. Its IUPAC name is cis-(1S,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Namecis-(1S,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride
PubChem CID118732676
Molecular FormulaC12H15ClF3NO
Molecular Weight281.71 g/mol
Exact Mass281.08
IUPAC Namecis-(1S,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride
SMILESCC[C@]1(N)C[C@@H]1c1ccc(OC(F)(F)F)cc1.Cl
InChIInChI=1S/C12H14F3NO.ClH/c1-2-11(16)7-10(11)8-3-5-9(6-4-8)17-12(13,14)15;/h3-6,10H,2,7,16H2,1H3;1H/t10-,11+;/m1./s1
InChIKeyOIVOGNGBKMUQJW-DHXVBOOMSA-N
XLogP3.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride?
The IUPAC name of cis-(1S,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride (CID 118732676) is cis-(1S,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for cis-(1S,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride?
The canonical SMILES for cis-(1S,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride is CC[C@]1(N)C[C@@H]1c1ccc(OC(F)(F)F)cc1.Cl.
What is the InChIKey of cis-(1S,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride?
The InChIKey is OIVOGNGBKMUQJW-DHXVBOOMSA-N. The full InChI is InChI=1S/C12H14F3NO.ClH/c1-2-11(16)7-10(11)8-3-5-9(6-4-8)17-12(13,14)15;/h3-6,10H,2,7,16H2,1H3;1H/t10-,11+;/m1./s1.
What are the key properties of cis-(1S,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride?
cis-(1S,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride has a molecular weight of 281.71 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 118732676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).