[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] carbonofluoridate

C5F10O2 — CID 87267388

IUPAC[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] carbonofluoridate
SMILESO=C(F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5F10O2/c6-1(16)17-2(3(7,8)9,4(10,11)12)5(13,14)15
InChIKeyRVNVRKQXNXUZQS-UHFFFAOYSA-N
MW282.03 g/mol
LogP3.52
Rot. Bonds1

About [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] carbonofluoridate

[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] carbonofluoridate (PubChem CID 87267388) has the molecular formula C5F10O2 and a molecular weight of 282.03 g/mol. Its IUPAC name is [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] carbonofluoridate.

Molecular Properties

Compound Name[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] carbonofluoridate
PubChem CID87267388
Molecular FormulaC5F10O2
Molecular Weight282.03 g/mol
Exact Mass281.97
IUPAC Name[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] carbonofluoridate
SMILESO=C(F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5F10O2/c6-1(16)17-2(3(7,8)9,4(10,11)12)5(13,14)15
InChIKeyRVNVRKQXNXUZQS-UHFFFAOYSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.03
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] carbonofluoridate?
The IUPAC name of [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] carbonofluoridate (CID 87267388) is [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] carbonofluoridate.
What is the SMILES notation for [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] carbonofluoridate?
The canonical SMILES for [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] carbonofluoridate is O=C(F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] carbonofluoridate?
The InChIKey is RVNVRKQXNXUZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F10O2/c6-1(16)17-2(3(7,8)9,4(10,11)12)5(13,14)15.
What are the key properties of [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] carbonofluoridate?
[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] carbonofluoridate has a molecular weight of 282.03 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] carbonofluoridate is sourced from PubChem (CID 87267388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).