[4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexyl] formate

C10H14F3NO3 — CID 57236348

IUPAC[4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexyl] formate
SMILESO=COC1CCC(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)9(16)14-5-7-1-3-8(4-2-7)17-6-15/h6-8H,1-5H2,(H,14,16)
InChIKeyZBFZXCXACHPXFV-UHFFFAOYSA-N
MW253.22 g/mol
LogP1.40
Rot. Bonds4

About [4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexyl] formate

[4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexyl] formate (PubChem CID 57236348) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is [4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexyl] formate.

Molecular Properties

Compound Name[4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexyl] formate
PubChem CID57236348
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Name[4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexyl] formate
SMILESO=COC1CCC(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)9(16)14-5-7-1-3-8(4-2-7)17-6-15/h6-8H,1-5H2,(H,14,16)
InChIKeyZBFZXCXACHPXFV-UHFFFAOYSA-N
XLogP1.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexyl] formate?
The IUPAC name of [4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexyl] formate (CID 57236348) is [4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexyl] formate.
What is the SMILES notation for [4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexyl] formate?
The canonical SMILES for [4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexyl] formate is O=COC1CCC(CNC(=O)C(F)(F)F)CC1.
What is the InChIKey of [4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexyl] formate?
The InChIKey is ZBFZXCXACHPXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3/c11-10(12,13)9(16)14-5-7-1-3-8(4-2-7)17-6-15/h6-8H,1-5H2,(H,14,16).
What are the key properties of [4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexyl] formate?
[4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexyl] formate has a molecular weight of 253.22 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexyl] formate is sourced from PubChem (CID 57236348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).