fluoro 2,2-difluoro-2-[(4-morpholin-4-ylcyclohexyl)amino]acetate

C12H19F3N2O3 — CID 146316861

IUPACfluoro 2,2-difluoro-2-[(4-morpholin-4-ylcyclohexyl)amino]acetate
SMILESO=C(OF)C(F)(F)NC1CCC(N2CCOCC2)CC1
InChIInChI=1S/C12H19F3N2O3/c13-12(14,11(18)20-15)16-9-1-3-10(4-2-9)17-5-7-19-8-6-17/h9-10,16H,1-8H2
InChIKeyAOBQFRHDMPNXGT-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.24
Rot. Bonds4

About fluoro 2,2-difluoro-2-[(4-morpholin-4-ylcyclohexyl)amino]acetate

fluoro 2,2-difluoro-2-[(4-morpholin-4-ylcyclohexyl)amino]acetate (PubChem CID 146316861) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is fluoro 2,2-difluoro-2-[(4-morpholin-4-ylcyclohexyl)amino]acetate.

Molecular Properties

Compound Namefluoro 2,2-difluoro-2-[(4-morpholin-4-ylcyclohexyl)amino]acetate
PubChem CID146316861
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Namefluoro 2,2-difluoro-2-[(4-morpholin-4-ylcyclohexyl)amino]acetate
SMILESO=C(OF)C(F)(F)NC1CCC(N2CCOCC2)CC1
InChIInChI=1S/C12H19F3N2O3/c13-12(14,11(18)20-15)16-9-1-3-10(4-2-9)17-5-7-19-8-6-17/h9-10,16H,1-8H2
InChIKeyAOBQFRHDMPNXGT-UHFFFAOYSA-N
XLogP1.24
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoro 2,2-difluoro-2-[(4-morpholin-4-ylcyclohexyl)amino]acetate?
The IUPAC name of fluoro 2,2-difluoro-2-[(4-morpholin-4-ylcyclohexyl)amino]acetate (CID 146316861) is fluoro 2,2-difluoro-2-[(4-morpholin-4-ylcyclohexyl)amino]acetate.
What is the SMILES notation for fluoro 2,2-difluoro-2-[(4-morpholin-4-ylcyclohexyl)amino]acetate?
The canonical SMILES for fluoro 2,2-difluoro-2-[(4-morpholin-4-ylcyclohexyl)amino]acetate is O=C(OF)C(F)(F)NC1CCC(N2CCOCC2)CC1.
What is the InChIKey of fluoro 2,2-difluoro-2-[(4-morpholin-4-ylcyclohexyl)amino]acetate?
The InChIKey is AOBQFRHDMPNXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c13-12(14,11(18)20-15)16-9-1-3-10(4-2-9)17-5-7-19-8-6-17/h9-10,16H,1-8H2.
What are the key properties of fluoro 2,2-difluoro-2-[(4-morpholin-4-ylcyclohexyl)amino]acetate?
fluoro 2,2-difluoro-2-[(4-morpholin-4-ylcyclohexyl)amino]acetate has a molecular weight of 296.29 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2,2-difluoro-2-[(4-morpholin-4-ylcyclohexyl)amino]acetate is sourced from PubChem (CID 146316861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).