N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine

C12H20F3NO — CID 62110414

IUPACN-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
SMILESFC(F)(F)COC1(CNC2CC2)CCCCC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)9-17-11(6-2-1-3-7-11)8-16-10-4-5-10/h10,16H,1-9H2
InChIKeyLRRUXSMRAJOFJZ-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.02
Rot. Bonds5

About N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine

N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine (PubChem CID 62110414) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
PubChem CID62110414
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC NameN-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
SMILESFC(F)(F)COC1(CNC2CC2)CCCCC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)9-17-11(6-2-1-3-7-11)8-16-10-4-5-10/h10,16H,1-9H2
InChIKeyLRRUXSMRAJOFJZ-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine (CID 62110414) is N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine is FC(F)(F)COC1(CNC2CC2)CCCCC1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is LRRUXSMRAJOFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)9-17-11(6-2-1-3-7-11)8-16-10-4-5-10/h10,16H,1-9H2.
What are the key properties of N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine?
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 251.29 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 62110414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).