bis(1,3-difluoropropyl) carbonate

C7H10F4O3 — CID 87131982

IUPACbis(1,3-difluoropropyl) carbonate
SMILESO=C(OC(F)CCF)OC(F)CCF
InChIInChI=1S/C7H10F4O3/c8-3-1-5(10)13-7(12)14-6(11)2-4-9/h5-6H,1-4H2
InChIKeyCKYWEWGXTOZCTJ-UHFFFAOYSA-N
MW218.15 g/mol
LogP2.45
Rot. Bonds6

About bis(1,3-difluoropropyl) carbonate

bis(1,3-difluoropropyl) carbonate (PubChem CID 87131982) has the molecular formula C7H10F4O3 and a molecular weight of 218.15 g/mol. Its IUPAC name is bis(1,3-difluoropropyl) carbonate.

Molecular Properties

Compound Namebis(1,3-difluoropropyl) carbonate
PubChem CID87131982
Molecular FormulaC7H10F4O3
Molecular Weight218.15 g/mol
Exact Mass218.06
IUPAC Namebis(1,3-difluoropropyl) carbonate
SMILESO=C(OC(F)CCF)OC(F)CCF
InChIInChI=1S/C7H10F4O3/c8-3-1-5(10)13-7(12)14-6(11)2-4-9/h5-6H,1-4H2
InChIKeyCKYWEWGXTOZCTJ-UHFFFAOYSA-N
XLogP2.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.15
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

difluoromethyl 2-fluoroethyl carbonate
CID 87091095
carbonic acid;1,3-difluorobutane
CID 87178365
ethyl 2,3,5-trifluoropentanoate
CID 174529809
1,4,4,4-tetrafluorobutyl 2-methylprop-2-enoate
CID 87071252
N,2,4-trifluorobutanamide
CID 23290112
1,4,6-trifluorohex-1-en-3-yl carbamate
CID 175485462
2,4,5,6,8-pentafluorooctan-3-one
CID 175417573
bis(1-hydroxypropan-2-yl) carbonate
CID 87589930
(2S)-4-fluoro-2-methylbutanoic acid
CID 89258003
1-fluorobutoxycarbonylcarbamic acid
CID 121334473
1,1,1,4-tetrafluorobutan-2-yl hydrogen carbonate
CID 87246671
1,2,4-trifluorobutane-1-thiol
CID 139415886

Frequently Asked Questions

What is the IUPAC name of bis(1,3-difluoropropyl) carbonate?
The IUPAC name of bis(1,3-difluoropropyl) carbonate (CID 87131982) is bis(1,3-difluoropropyl) carbonate.
What is the SMILES notation for bis(1,3-difluoropropyl) carbonate?
The canonical SMILES for bis(1,3-difluoropropyl) carbonate is O=C(OC(F)CCF)OC(F)CCF.
What is the InChIKey of bis(1,3-difluoropropyl) carbonate?
The InChIKey is CKYWEWGXTOZCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F4O3/c8-3-1-5(10)13-7(12)14-6(11)2-4-9/h5-6H,1-4H2.
What are the key properties of bis(1,3-difluoropropyl) carbonate?
bis(1,3-difluoropropyl) carbonate has a molecular weight of 218.15 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-difluoropropyl) carbonate is sourced from PubChem (CID 87131982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).