1-cyclohexyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine

C13H21F6NO — CID 102721862

IUPAC1-cyclohexyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine
SMILESCCNC(COC(C(F)(F)F)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C13H21F6NO/c1-2-20-10(9-6-4-3-5-7-9)8-21-11(12(14,15)16)13(17,18)19/h9-11,20H,2-8H2,1H3
InChIKeyVCEMQEGKGPDBOV-UHFFFAOYSA-N
MW321.31 g/mol
LogP4.05
Rot. Bonds6

About 1-cyclohexyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine

1-cyclohexyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine (PubChem CID 102721862) has the molecular formula C13H21F6NO and a molecular weight of 321.31 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine
PubChem CID102721862
Molecular FormulaC13H21F6NO
Molecular Weight321.31 g/mol
Exact Mass321.15
IUPAC Name1-cyclohexyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine
SMILESCCNC(COC(C(F)(F)F)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C13H21F6NO/c1-2-20-10(9-6-4-3-5-7-9)8-21-11(12(14,15)16)13(17,18)19/h9-11,20H,2-8H2,1H3
InChIKeyVCEMQEGKGPDBOV-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine?
The IUPAC name of 1-cyclohexyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine (CID 102721862) is 1-cyclohexyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine is CCNC(COC(C(F)(F)F)C(F)(F)F)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine?
The InChIKey is VCEMQEGKGPDBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F6NO/c1-2-20-10(9-6-4-3-5-7-9)8-21-11(12(14,15)16)13(17,18)19/h9-11,20H,2-8H2,1H3.
What are the key properties of 1-cyclohexyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine?
1-cyclohexyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine has a molecular weight of 321.31 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine is sourced from PubChem (CID 102721862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).