cyclohexane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate

C10H12F6O3 — CID 175538194

IUPACcyclohexane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
SMILESC1CCCCC1.O=C(OC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H12.C4F6O3/c1-2-4-6-5-3-1;5-3(6,7)1(11)13-2(12)4(8,9)10/h1-6H2;
InChIKeyHCONYMNMKLVYGD-UHFFFAOYSA-N
MW294.19 g/mol
LogP3.52
Rot. Bonds

About cyclohexane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate

cyclohexane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate (PubChem CID 175538194) has the molecular formula C10H12F6O3 and a molecular weight of 294.19 g/mol. Its IUPAC name is cyclohexane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Namecyclohexane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
PubChem CID175538194
Molecular FormulaC10H12F6O3
Molecular Weight294.19 g/mol
Exact Mass294.07
IUPAC Namecyclohexane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
SMILESC1CCCCC1.O=C(OC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H12.C4F6O3/c1-2-4-6-5-3-1;5-3(6,7)1(11)13-2(12)4(8,9)10/h1-6H2;
InChIKeyHCONYMNMKLVYGD-UHFFFAOYSA-N
XLogP3.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

dichloromethane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 23148895
(2,2,2-trifluoroacetyl) piperidine-1-carboxylate
CID 87291791
azanium;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;nitrate
CID 86750628
(2,2,2-trifluoroacetyl) 2,2,3,3,4,4,4-heptafluorobutanoate
CID 156768944
acetyl 2,2,2-trifluoroacetate;copper
CID 174842973
acetic acid;acetyl 2,2,2-trifluoroacetate
CID 175408776
(2,2,2-trifluoroacetyl) 2-hydroxypropanoate
CID 174789042
(2-iodoacetyl) 2,2,2-trifluoroacetate
CID 87858141
(2,2,2-trifluoroacetyl) 3,3,3-trifluoropropanoate
CID 91252797
cis-(2,2,2-trifluoroacetyl) (1S,2R)-2-aminocyclopentane-1-carboxylate
CID 118354192
3,3-dimethylbut-1-en-2-yl 2,2,2-trifluoroacetate
CID 12871431
(3-amino-3-oxoprop-1-en-2-yl) 2,2,2-trifluoroacetate
CID 143424317

Frequently Asked Questions

What is the IUPAC name of cyclohexane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate?
The IUPAC name of cyclohexane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate (CID 175538194) is cyclohexane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate.
What is the SMILES notation for cyclohexane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate?
The canonical SMILES for cyclohexane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate is C1CCCCC1.O=C(OC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of cyclohexane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate?
The InChIKey is HCONYMNMKLVYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C4F6O3/c1-2-4-6-5-3-1;5-3(6,7)1(11)13-2(12)4(8,9)10/h1-6H2;.
What are the key properties of cyclohexane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate?
cyclohexane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate has a molecular weight of 294.19 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 175538194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).