3-(1,1,2,2-tetrafluoroethoxy)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine

C15H17F7N2O — CID 141062732

IUPAC3-(1,1,2,2-tetrafluoroethoxy)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
SMILESFC(F)C(F)(F)OC1CCCC(NCc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H17F7N2O/c16-13(17)15(21,22)25-11-5-1-3-9(7-11)23-8-10-4-2-6-12(24-10)14(18,19)20/h2,4,6,9,11,13,23H,1,3,5,7-8H2
InChIKeyUIPVAYWWNLBBBL-UHFFFAOYSA-N
MW374.30 g/mol
LogP4.38
Rot. Bonds6

About 3-(1,1,2,2-tetrafluoroethoxy)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine

3-(1,1,2,2-tetrafluoroethoxy)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine (PubChem CID 141062732) has the molecular formula C15H17F7N2O and a molecular weight of 374.30 g/mol. Its IUPAC name is 3-(1,1,2,2-tetrafluoroethoxy)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-(1,1,2,2-tetrafluoroethoxy)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
PubChem CID141062732
Molecular FormulaC15H17F7N2O
Molecular Weight374.30 g/mol
Exact Mass374.12
IUPAC Name3-(1,1,2,2-tetrafluoroethoxy)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
SMILESFC(F)C(F)(F)OC1CCCC(NCc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H17F7N2O/c16-13(17)15(21,22)25-11-5-1-3-9(7-11)23-8-10-4-2-6-12(24-10)14(18,19)20/h2,4,6,9,11,13,23H,1,3,5,7-8H2
InChIKeyUIPVAYWWNLBBBL-UHFFFAOYSA-N
XLogP4.38
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2,2-tetrafluoroethoxy)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine?
The IUPAC name of 3-(1,1,2,2-tetrafluoroethoxy)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine (CID 141062732) is 3-(1,1,2,2-tetrafluoroethoxy)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-(1,1,2,2-tetrafluoroethoxy)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 3-(1,1,2,2-tetrafluoroethoxy)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine is FC(F)C(F)(F)OC1CCCC(NCc2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of 3-(1,1,2,2-tetrafluoroethoxy)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine?
The InChIKey is UIPVAYWWNLBBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F7N2O/c16-13(17)15(21,22)25-11-5-1-3-9(7-11)23-8-10-4-2-6-12(24-10)14(18,19)20/h2,4,6,9,11,13,23H,1,3,5,7-8H2.
What are the key properties of 3-(1,1,2,2-tetrafluoroethoxy)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine?
3-(1,1,2,2-tetrafluoroethoxy)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine has a molecular weight of 374.30 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,2-tetrafluoroethoxy)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 141062732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).