[(2R)-2-(2,2,2-trifluoroacetyl)oxypropyl] 2,2,2-trifluoroacetate

C7H6F6O4 — CID 14535341

IUPAC[(2R)-2-(2,2,2-trifluoroacetyl)oxypropyl] 2,2,2-trifluoroacetate
SMILESC[C@H](COC(=O)C(F)(F)F)OC(=O)C(F)(F)F
InChIInChI=1S/C7H6F6O4/c1-3(17-5(15)7(11,12)13)2-16-4(14)6(8,9)10/h3H,2H2,1H3/t3-/m1/s1
InChIKeySRUSTRDCGNYRRA-GSVOUGTGSA-N
MW268.11 g/mol
LogP1.59
Rot. Bonds3

About [(2R)-2-(2,2,2-trifluoroacetyl)oxypropyl] 2,2,2-trifluoroacetate

[(2R)-2-(2,2,2-trifluoroacetyl)oxypropyl] 2,2,2-trifluoroacetate (PubChem CID 14535341) has the molecular formula C7H6F6O4 and a molecular weight of 268.11 g/mol. Its IUPAC name is [(2R)-2-(2,2,2-trifluoroacetyl)oxypropyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(2R)-2-(2,2,2-trifluoroacetyl)oxypropyl] 2,2,2-trifluoroacetate
PubChem CID14535341
Molecular FormulaC7H6F6O4
Molecular Weight268.11 g/mol
Exact Mass268.02
IUPAC Name[(2R)-2-(2,2,2-trifluoroacetyl)oxypropyl] 2,2,2-trifluoroacetate
SMILESC[C@H](COC(=O)C(F)(F)F)OC(=O)C(F)(F)F
InChIInChI=1S/C7H6F6O4/c1-3(17-5(15)7(11,12)13)2-16-4(14)6(8,9)10/h3H,2H2,1H3/t3-/m1/s1
InChIKeySRUSTRDCGNYRRA-GSVOUGTGSA-N
XLogP1.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2,2-trifluoroacetyl)oxybutyl 2,2,2-trifluoroacetate
CID 14535336
(2S)-2-amino-5-(2,2,2-trifluoroacetyl)oxyhexanoic acid
CID 178040034
tridecan-2-yl 2,2,2-trifluoroacetate
CID 536345
(2-amino-3-bromo-4-methylpentyl) 2,2,2-trifluoroacetate
CID 174931876
aminomethyl 2,2,2-trifluoroacetate
CID 59001854
ethyl 2,3,4,5-tetrakis[(2,2,2-trifluoroacetyl)oxy]pentanoate
CID 91695330
tri(propan-2-yl)-(2,2,2-trifluoroacetyl)oxyphosphanium
CID 57090971
[(4E)-4-methoxyimino-2,3-bis[(2,2,2-trifluoroacetyl)oxy]butyl] 2,2,2-trifluoroacetate
CID 91694977
1-(diethylamino)ethyl 2,2,2-trifluoroacetate
CID 141198748
(1-amino-2,2-dimethylpropyl) 2,2,2-trifluoroacetate
CID 87865006
1-fluoropropyl 2,2,2-trifluoroacetate
CID 151523530
2-(3-methylbutylamino)butyl 2,2,2-trifluoroacetate
CID 82531905

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2,2,2-trifluoroacetyl)oxypropyl] 2,2,2-trifluoroacetate?
The IUPAC name of [(2R)-2-(2,2,2-trifluoroacetyl)oxypropyl] 2,2,2-trifluoroacetate (CID 14535341) is [(2R)-2-(2,2,2-trifluoroacetyl)oxypropyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(2R)-2-(2,2,2-trifluoroacetyl)oxypropyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [(2R)-2-(2,2,2-trifluoroacetyl)oxypropyl] 2,2,2-trifluoroacetate is C[C@H](COC(=O)C(F)(F)F)OC(=O)C(F)(F)F.
What is the InChIKey of [(2R)-2-(2,2,2-trifluoroacetyl)oxypropyl] 2,2,2-trifluoroacetate?
The InChIKey is SRUSTRDCGNYRRA-GSVOUGTGSA-N. The full InChI is InChI=1S/C7H6F6O4/c1-3(17-5(15)7(11,12)13)2-16-4(14)6(8,9)10/h3H,2H2,1H3/t3-/m1/s1.
What are the key properties of [(2R)-2-(2,2,2-trifluoroacetyl)oxypropyl] 2,2,2-trifluoroacetate?
[(2R)-2-(2,2,2-trifluoroacetyl)oxypropyl] 2,2,2-trifluoroacetate has a molecular weight of 268.11 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2,2,2-trifluoroacetyl)oxypropyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 14535341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).