(2,3,4-trifluoro-1-nitrosocyclohexyl) acetate

C8H10F3NO3 — CID 87362480

IUPAC(2,3,4-trifluoro-1-nitrosocyclohexyl) acetate
SMILESCC(=O)OC1(N=O)CCC(F)C(F)C1F
InChIInChI=1S/C8H10F3NO3/c1-4(13)15-8(12-14)3-2-5(9)6(10)7(8)11/h5-7H,2-3H2,1H3
InChIKeyMAIJFBWMKKOZHX-UHFFFAOYSA-N
MW225.17 g/mol
LogP1.82
Rot. Bonds2

About (2,3,4-trifluoro-1-nitrosocyclohexyl) acetate

(2,3,4-trifluoro-1-nitrosocyclohexyl) acetate (PubChem CID 87362480) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is (2,3,4-trifluoro-1-nitrosocyclohexyl) acetate.

Molecular Properties

Compound Name(2,3,4-trifluoro-1-nitrosocyclohexyl) acetate
PubChem CID87362480
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Name(2,3,4-trifluoro-1-nitrosocyclohexyl) acetate
SMILESCC(=O)OC1(N=O)CCC(F)C(F)C1F
InChIInChI=1S/C8H10F3NO3/c1-4(13)15-8(12-14)3-2-5(9)6(10)7(8)11/h5-7H,2-3H2,1H3
InChIKeyMAIJFBWMKKOZHX-UHFFFAOYSA-N
XLogP1.82
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3,4-trifluoro-1-nitrosocyclohexyl) acetate?
The IUPAC name of (2,3,4-trifluoro-1-nitrosocyclohexyl) acetate (CID 87362480) is (2,3,4-trifluoro-1-nitrosocyclohexyl) acetate.
What is the SMILES notation for (2,3,4-trifluoro-1-nitrosocyclohexyl) acetate?
The canonical SMILES for (2,3,4-trifluoro-1-nitrosocyclohexyl) acetate is CC(=O)OC1(N=O)CCC(F)C(F)C1F.
What is the InChIKey of (2,3,4-trifluoro-1-nitrosocyclohexyl) acetate?
The InChIKey is MAIJFBWMKKOZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3/c1-4(13)15-8(12-14)3-2-5(9)6(10)7(8)11/h5-7H,2-3H2,1H3.
What are the key properties of (2,3,4-trifluoro-1-nitrosocyclohexyl) acetate?
(2,3,4-trifluoro-1-nitrosocyclohexyl) acetate has a molecular weight of 225.17 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4-trifluoro-1-nitrosocyclohexyl) acetate is sourced from PubChem (CID 87362480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).