difluoromethyl 1,1,2,2,2-pentafluoroethyl carbonate

C4HF7O3 — CID 140587327

IUPACdifluoromethyl 1,1,2,2,2-pentafluoroethyl carbonate
SMILESO=C(OC(F)F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C4HF7O3/c5-1(6)13-2(12)14-4(10,11)3(7,8)9/h1H
InChIKeyITLODDOHMWVNNT-UHFFFAOYSA-N
MW230.03 g/mol
LogP2.52
Rot. Bonds2

About difluoromethyl 1,1,2,2,2-pentafluoroethyl carbonate

difluoromethyl 1,1,2,2,2-pentafluoroethyl carbonate (PubChem CID 140587327) has the molecular formula C4HF7O3 and a molecular weight of 230.03 g/mol. Its IUPAC name is difluoromethyl 1,1,2,2,2-pentafluoroethyl carbonate.

Molecular Properties

Compound Namedifluoromethyl 1,1,2,2,2-pentafluoroethyl carbonate
PubChem CID140587327
Molecular FormulaC4HF7O3
Molecular Weight230.03 g/mol
Exact Mass229.98
IUPAC Namedifluoromethyl 1,1,2,2,2-pentafluoroethyl carbonate
SMILESO=C(OC(F)F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C4HF7O3/c5-1(6)13-2(12)14-4(10,11)3(7,8)9/h1H
InChIKeyITLODDOHMWVNNT-UHFFFAOYSA-N
XLogP2.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.03
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,2-pentafluoroethoxycarbonyl formate
CID 174676500
bis(1,1,2,2,2-pentafluoroethyl) carbonate;ethyl 1,1,2,2,2-pentafluoroethyl carbonate
CID 161279187
1,1,2,2,3,3,3-heptafluoropropyl methyl carbonate
CID 23432502
bis(1,1,2,2,2-pentafluoroethyl) (Z)-but-2-enedioate
CID 87522002
2-(1,1,2,2,2-pentafluoroethoxycarbonyl)but-2-enoic acid
CID 151447606
difluoromethyl 2-fluoroethyl carbonate
CID 87091095
4-O-(1,1,2,2,2-pentafluoroethyl) 1-O-propan-2-yl 2-methylidenebutanedioate
CID 139842370
bis(1,1,1,3,3,3-hexafluoropropan-2-yl) carbonate
CID 10959380
bis(trifluoromethyl) carbonate
CID 21263525
2-(difluoromethoxy)-2,3,3,3-tetrafluoropropanoic acid
CID 58623366
1,1,2,2,2-pentafluoroethyl 2,2-difluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)acetate
CID 174348525
difluoromethyl 2-oxoacetate
CID 175833317

Frequently Asked Questions

What is the IUPAC name of difluoromethyl 1,1,2,2,2-pentafluoroethyl carbonate?
The IUPAC name of difluoromethyl 1,1,2,2,2-pentafluoroethyl carbonate (CID 140587327) is difluoromethyl 1,1,2,2,2-pentafluoroethyl carbonate.
What is the SMILES notation for difluoromethyl 1,1,2,2,2-pentafluoroethyl carbonate?
The canonical SMILES for difluoromethyl 1,1,2,2,2-pentafluoroethyl carbonate is O=C(OC(F)F)OC(F)(F)C(F)(F)F.
What is the InChIKey of difluoromethyl 1,1,2,2,2-pentafluoroethyl carbonate?
The InChIKey is ITLODDOHMWVNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF7O3/c5-1(6)13-2(12)14-4(10,11)3(7,8)9/h1H.
What are the key properties of difluoromethyl 1,1,2,2,2-pentafluoroethyl carbonate?
difluoromethyl 1,1,2,2,2-pentafluoroethyl carbonate has a molecular weight of 230.03 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethyl 1,1,2,2,2-pentafluoroethyl carbonate is sourced from PubChem (CID 140587327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).