bis(6-fluorohexan-3-yl) carbonate

C13H24F2O3 — CID 87131876

IUPACbis(6-fluorohexan-3-yl) carbonate
SMILESCCC(CCCF)OC(=O)OC(CC)CCCF
InChIInChI=1S/C13H24F2O3/c1-3-11(7-5-9-14)17-13(16)18-12(4-2)8-6-10-15/h11-12H,3-10H2,1-2H3
InChIKeyYWOPXRQXXGNLEE-UHFFFAOYSA-N
MW266.33 g/mol
LogP4.20
Rot. Bonds10

About bis(6-fluorohexan-3-yl) carbonate

bis(6-fluorohexan-3-yl) carbonate (PubChem CID 87131876) has the molecular formula C13H24F2O3 and a molecular weight of 266.33 g/mol. Its IUPAC name is bis(6-fluorohexan-3-yl) carbonate.

Molecular Properties

Compound Namebis(6-fluorohexan-3-yl) carbonate
PubChem CID87131876
Molecular FormulaC13H24F2O3
Molecular Weight266.33 g/mol
Exact Mass266.17
IUPAC Namebis(6-fluorohexan-3-yl) carbonate
SMILESCCC(CCCF)OC(=O)OC(CC)CCCF
InChIInChI=1S/C13H24F2O3/c1-3-11(7-5-9-14)17-13(16)18-12(4-2)8-6-10-15/h11-12H,3-10H2,1-2H3
InChIKeyYWOPXRQXXGNLEE-UHFFFAOYSA-N
XLogP4.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
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

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Related Compounds

Ethyl pentan-2-yl carbonate
CID 13764644
Hexan-3-yl propyl carbonate
CID 91694016
Ethyl hexan-2-yl carbonate
CID 13297818
Ethyl hexan-3-yl carbonate
CID 23451726
Pentan-2-yl propyl carbonate
CID 87764048
Carbonic acid, butyl 2-pentyl ester
CID 91692984
Bis(2-fluorobutyl) carbonate
CID 87127876
Bis(1,1,1-trifluoropentan-2-yl) carbonate
CID 87131829
Bis(6-fluorohexyl) carbonate
CID 87131878
Bis(5,5,6,6,6-pentafluorohexan-3-yl) carbonate
CID 87131927
Bis(1-fluoropentan-3-yl) carbonate
CID 87131934
Bis(1,1,1-trifluorohexan-3-yl) carbonate
CID 87132010

Frequently Asked Questions

What is the IUPAC name of bis(6-fluorohexan-3-yl) carbonate?
The IUPAC name of bis(6-fluorohexan-3-yl) carbonate (CID 87131876) is bis(6-fluorohexan-3-yl) carbonate.
What is the SMILES notation for bis(6-fluorohexan-3-yl) carbonate?
The canonical SMILES for bis(6-fluorohexan-3-yl) carbonate is CCC(CCCF)OC(=O)OC(CC)CCCF.
What is the InChIKey of bis(6-fluorohexan-3-yl) carbonate?
The InChIKey is YWOPXRQXXGNLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2O3/c1-3-11(7-5-9-14)17-13(16)18-12(4-2)8-6-10-15/h11-12H,3-10H2,1-2H3.
What are the key properties of bis(6-fluorohexan-3-yl) carbonate?
bis(6-fluorohexan-3-yl) carbonate has a molecular weight of 266.33 g/mol, XLogP of 4.20, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-fluorohexan-3-yl) carbonate is sourced from PubChem (CID 87131876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).