bis(6-fluorohexyl) carbonate

C13H24F2O3 — CID 87131878

IUPACbis(6-fluorohexyl) carbonate
SMILESO=C(OCCCCCCF)OCCCCCCF
InChIInChI=1S/C13H24F2O3/c14-9-5-1-3-7-11-17-13(16)18-12-8-4-2-6-10-15/h1-12H2
InChIKeyWTVFJTLACVYKPH-UHFFFAOYSA-N
MW266.33 g/mol
LogP4.20
Rot. Bonds12

About bis(6-fluorohexyl) carbonate

bis(6-fluorohexyl) carbonate (PubChem CID 87131878) has the molecular formula C13H24F2O3 and a molecular weight of 266.33 g/mol. Its IUPAC name is bis(6-fluorohexyl) carbonate.

Molecular Properties

Compound Namebis(6-fluorohexyl) carbonate
PubChem CID87131878
Molecular FormulaC13H24F2O3
Molecular Weight266.33 g/mol
Exact Mass266.17
IUPAC Namebis(6-fluorohexyl) carbonate
SMILESO=C(OCCCCCCF)OCCCCCCF
InChIInChI=1S/C13H24F2O3/c14-9-5-1-3-7-11-17-13(16)18-12-8-4-2-6-10-15/h1-12H2
InChIKeyWTVFJTLACVYKPH-UHFFFAOYSA-N
XLogP4.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis((Perfluorobutyl)ethyl) carbonate
CID 87147097
Dihexyl carbonate
CID 522576
Carbonic acid, ethyl hexyl ester
CID 6421510
Carbonic acid, hexyl methyl ester
CID 6421217
Hexyl propyl carbonate
CID 13086495
Fluoromethyl octyl carbonate
CID 14177385
8-Fluorooctyl methyl carbonate
CID 22123714
(8-Ethoxycarbonyloxy-3,4,5-trifluorooctyl) ethyl carbonate
CID 22123745
Bis(4-fluorobutyl) carbonate
CID 87113762
Bis(6-fluorohexan-3-yl) carbonate
CID 87131876
Bis(5,5,6,6,6-pentafluorohexyl) carbonate
CID 87131929
Bis(5-fluoropentyl) carbonate
CID 87131936

Frequently Asked Questions

What is the IUPAC name of bis(6-fluorohexyl) carbonate?
The IUPAC name of bis(6-fluorohexyl) carbonate (CID 87131878) is bis(6-fluorohexyl) carbonate.
What is the SMILES notation for bis(6-fluorohexyl) carbonate?
The canonical SMILES for bis(6-fluorohexyl) carbonate is O=C(OCCCCCCF)OCCCCCCF.
What is the InChIKey of bis(6-fluorohexyl) carbonate?
The InChIKey is WTVFJTLACVYKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2O3/c14-9-5-1-3-7-11-17-13(16)18-12-8-4-2-6-10-15/h1-12H2.
What are the key properties of bis(6-fluorohexyl) carbonate?
bis(6-fluorohexyl) carbonate has a molecular weight of 266.33 g/mol, XLogP of 4.20, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-fluorohexyl) carbonate is sourced from PubChem (CID 87131878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).