difluoromethyl 2-fluoroethyl carbonate

C4H5F3O3 — CID 87091095

IUPACdifluoromethyl 2-fluoroethyl carbonate
SMILESO=C(OCCF)OC(F)F
InChIInChI=1S/C4H5F3O3/c5-1-2-9-4(8)10-3(6)7/h3H,1-2H2
InChIKeyCSANCJZZMDBNPU-UHFFFAOYSA-N
MW158.07 g/mol
LogP1.33
Rot. Bonds3

About difluoromethyl 2-fluoroethyl carbonate

difluoromethyl 2-fluoroethyl carbonate (PubChem CID 87091095) has the molecular formula C4H5F3O3 and a molecular weight of 158.07 g/mol. Its IUPAC name is difluoromethyl 2-fluoroethyl carbonate.

Molecular Properties

Compound Namedifluoromethyl 2-fluoroethyl carbonate
PubChem CID87091095
Molecular FormulaC4H5F3O3
Molecular Weight158.07 g/mol
Exact Mass158.02
IUPAC Namedifluoromethyl 2-fluoroethyl carbonate
SMILESO=C(OCCF)OC(F)F
InChIInChI=1S/C4H5F3O3/c5-1-2-9-4(8)10-3(6)7/h3H,1-2H2
InChIKeyCSANCJZZMDBNPU-UHFFFAOYSA-N
XLogP1.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.07
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

fluoro 2-fluoroethyl carbonate
CID 175101723
2-fluoroethyl 2,3,3,3-tetrafluoropropanoate
CID 134247673
3-(1-fluoroethoxycarbonyloxy)propyl 1-fluoroethyl carbonate
CID 118860519
2-fluoroethyl carbonochloridate
CID 10017
[(2S)-butan-2-yl] 3-fluoropropyl carbonate
CID 99769683
2-fluoroethyl 2-sulfanylpropanoate
CID 154185031
2-(2-fluoroethoxy)propanoic acid
CID 84648269
bis(1,3-difluoropropyl) carbonate
CID 87131982
difluoromethyl 5-amino-4-oxopentanoate
CID 141396702
2-fluoroethyl prop-2-enoate;fluoromethyl prop-2-enoate
CID 160659277
difluoromethyl 1,1,2,2,2-pentafluoroethyl carbonate
CID 140587327
2-fluoroethyl N-[2-(2-fluoroethoxycarbonylamino)-2-oxoacetyl]carbamate
CID 165344355

Frequently Asked Questions

What is the IUPAC name of difluoromethyl 2-fluoroethyl carbonate?
The IUPAC name of difluoromethyl 2-fluoroethyl carbonate (CID 87091095) is difluoromethyl 2-fluoroethyl carbonate.
What is the SMILES notation for difluoromethyl 2-fluoroethyl carbonate?
The canonical SMILES for difluoromethyl 2-fluoroethyl carbonate is O=C(OCCF)OC(F)F.
What is the InChIKey of difluoromethyl 2-fluoroethyl carbonate?
The InChIKey is CSANCJZZMDBNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O3/c5-1-2-9-4(8)10-3(6)7/h3H,1-2H2.
What are the key properties of difluoromethyl 2-fluoroethyl carbonate?
difluoromethyl 2-fluoroethyl carbonate has a molecular weight of 158.07 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethyl 2-fluoroethyl carbonate is sourced from PubChem (CID 87091095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).