CID 87608976

C3H3F3InO2 — CID 87608976

IUPAC—
SMILESCC(=O)OC(F)(F)F.[In]
InChIInChI=1S/C3H3F3O2.In/c1-2(7)8-3(4,5)6;/h1H3;
InChIKeyZUIXILKLLULLRA-UHFFFAOYSA-N
MW242.87 g/mol
LogP0.69
Rot. Bonds

About CID 87608976

CID 87608976 (PubChem CID 87608976) has the molecular formula C3H3F3InO2 and a molecular weight of 242.87 g/mol.

Molecular Properties

Compound NameCID 87608976
PubChem CID87608976
Molecular FormulaC3H3F3InO2
Molecular Weight242.87 g/mol
Exact Mass242.91
IUPAC Name—
SMILESCC(=O)OC(F)(F)F.[In]
InChIInChI=1S/C3H3F3O2.In/c1-2(7)8-3(4,5)6;/h1H3;
InChIKeyZUIXILKLLULLRA-UHFFFAOYSA-N
XLogP0.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.87
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 87138094
CID 87138094
(1,3-diacetyloxy-1,1,2,3,3-pentafluoropropan-2-yl) acetate
CID 135386615
bis(trifluoromethyl) oxalate
CID 71350742
bis(trifluoromethyl) carbonate
CID 21263525
1,1,2,2,2-pentaacetyloxyethyl acetate
CID 71773968
tert-butyl acetate;2,2-difluoropropane;2-methylpropane
CID 158638255
tert-butyl acetate
CID 159704758
trifluoromethyl carbonofluoridate
CID 541789
tert-butyl acetate;iron
CID 174907269
[diacetyloxy(triacetyloxymethoxy)methyl] acetate
CID 154211152
sodium tert-butyl acetate
CID 22391906
trifluoromethoxycarbonyl trifluoromethyl carbonate
CID 158204157

Frequently Asked Questions

What is the IUPAC name of CID 87608976?
The IUPAC name of CID 87608976 (CID 87608976) is not available.
What is the SMILES notation for CID 87608976?
The canonical SMILES for CID 87608976 is CC(=O)OC(F)(F)F.[In].
What is the InChIKey of CID 87608976?
The InChIKey is ZUIXILKLLULLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3O2.In/c1-2(7)8-3(4,5)6;/h1H3;.
What are the key properties of CID 87608976?
CID 87608976 has a molecular weight of 242.87 g/mol, XLogP of 0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87608976 is sourced from PubChem (CID 87608976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).