bis(2,3-difluoropent-3-en-2-yl) carbonate

C11H14F4O3 — CID 174158727

IUPACbis(2,3-difluoropent-3-en-2-yl) carbonate
SMILESCC=C(F)C(C)(F)OC(=O)OC(C)(F)C(F)=CC
InChIInChI=1S/C11H14F4O3/c1-5-7(12)10(3,14)17-9(16)18-11(4,15)8(13)6-2/h5-6H,1-4H3
InChIKeyZHNVJALVFWHWRO-UHFFFAOYSA-N
MW270.22 g/mol
LogP4.26
Rot. Bonds4

About bis(2,3-difluoropent-3-en-2-yl) carbonate

bis(2,3-difluoropent-3-en-2-yl) carbonate (PubChem CID 174158727) has the molecular formula C11H14F4O3 and a molecular weight of 270.22 g/mol. Its IUPAC name is bis(2,3-difluoropent-3-en-2-yl) carbonate.

Molecular Properties

Compound Namebis(2,3-difluoropent-3-en-2-yl) carbonate
PubChem CID174158727
Molecular FormulaC11H14F4O3
Molecular Weight270.22 g/mol
Exact Mass270.09
IUPAC Namebis(2,3-difluoropent-3-en-2-yl) carbonate
SMILESCC=C(F)C(C)(F)OC(=O)OC(C)(F)C(F)=CC
InChIInChI=1S/C11H14F4O3/c1-5-7(12)10(3,14)17-9(16)18-11(4,15)8(13)6-2/h5-6H,1-4H3
InChIKeyZHNVJALVFWHWRO-UHFFFAOYSA-N
XLogP4.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(1,1,1-trifluoro-2-methylpropan-2-yl) 2,2-dimethylpropanoate
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bis(3-hydroxy-2,3-dimethylbutan-2-yl) carbonate
CID 118293174
2-fluoropropan-2-yl hydrogen carbonate
CID 87318684
trifluoromethyl carbonofluoridate
CID 541789
tert-butyl [1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-yl] carbonate
CID 22639414
(E)-5-fluoro-4,5-dimethylhex-3-en-2-one
CID 12601610
1,1,1,2-tetrafluoropropan-2-yl prop-2-enoate
CID 139659236
1,1,1,2-tetrafluoropropan-2-yl 2,3,3-trifluoroprop-2-enoate
CID 87871976
bis(3-methylpent-1-en-3-yl) carbonate
CID 174555873

Frequently Asked Questions

What is the IUPAC name of bis(2,3-difluoropent-3-en-2-yl) carbonate?
The IUPAC name of bis(2,3-difluoropent-3-en-2-yl) carbonate (CID 174158727) is bis(2,3-difluoropent-3-en-2-yl) carbonate.
What is the SMILES notation for bis(2,3-difluoropent-3-en-2-yl) carbonate?
The canonical SMILES for bis(2,3-difluoropent-3-en-2-yl) carbonate is CC=C(F)C(C)(F)OC(=O)OC(C)(F)C(F)=CC.
What is the InChIKey of bis(2,3-difluoropent-3-en-2-yl) carbonate?
The InChIKey is ZHNVJALVFWHWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4O3/c1-5-7(12)10(3,14)17-9(16)18-11(4,15)8(13)6-2/h5-6H,1-4H3.
What are the key properties of bis(2,3-difluoropent-3-en-2-yl) carbonate?
bis(2,3-difluoropent-3-en-2-yl) carbonate has a molecular weight of 270.22 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-difluoropent-3-en-2-yl) carbonate is sourced from PubChem (CID 174158727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).