N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cycloheptanamine

C15H26F3NO — CID 43435251

IUPACN-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cycloheptanamine
SMILESFC(F)(F)COC1CCCC(NC2CCCCCC2)C1
InChIInChI=1S/C15H26F3NO/c16-15(17,18)11-20-14-9-5-8-13(10-14)19-12-6-3-1-2-4-7-12/h12-14,19H,1-11H2
InChIKeyXSIYZKUSNGJASW-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.19
Rot. Bonds4

About N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cycloheptanamine

N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cycloheptanamine (PubChem CID 43435251) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cycloheptanamine.

Molecular Properties

Compound NameN-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cycloheptanamine
PubChem CID43435251
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC NameN-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cycloheptanamine
SMILESFC(F)(F)COC1CCCC(NC2CCCCCC2)C1
InChIInChI=1S/C15H26F3NO/c16-15(17,18)11-20-14-9-5-8-13(10-14)19-12-6-3-1-2-4-7-12/h12-14,19H,1-11H2
InChIKeyXSIYZKUSNGJASW-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cycloheptanamine?
The IUPAC name of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cycloheptanamine (CID 43435251) is N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cycloheptanamine.
What is the SMILES notation for N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cycloheptanamine?
The canonical SMILES for N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cycloheptanamine is FC(F)(F)COC1CCCC(NC2CCCCCC2)C1.
What is the InChIKey of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cycloheptanamine?
The InChIKey is XSIYZKUSNGJASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c16-15(17,18)11-20-14-9-5-8-13(10-14)19-12-6-3-1-2-4-7-12/h12-14,19H,1-11H2.
What are the key properties of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cycloheptanamine?
N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cycloheptanamine has a molecular weight of 293.37 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cycloheptanamine is sourced from PubChem (CID 43435251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).