ethyl 3,3,3-trifluoropropyl carbonate

C6H9F3O3 — CID 134583803

IUPACethyl 3,3,3-trifluoropropyl carbonate
SMILESCCOC(=O)OCCC(F)(F)F
InChIInChI=1S/C6H9F3O3/c1-2-11-5(10)12-4-3-6(7,8)9/h2-4H2,1H3
InChIKeyXAZUDLCFKLYIKV-UHFFFAOYSA-N
MW186.13 g/mol
LogP2.11
Rot. Bonds3

About ethyl 3,3,3-trifluoropropyl carbonate

ethyl 3,3,3-trifluoropropyl carbonate (PubChem CID 134583803) has the molecular formula C6H9F3O3 and a molecular weight of 186.13 g/mol. Its IUPAC name is ethyl 3,3,3-trifluoropropyl carbonate.

Molecular Properties

Compound Nameethyl 3,3,3-trifluoropropyl carbonate
PubChem CID134583803
Molecular FormulaC6H9F3O3
Molecular Weight186.13 g/mol
Exact Mass186.05
IUPAC Nameethyl 3,3,3-trifluoropropyl carbonate
SMILESCCOC(=O)OCCC(F)(F)F
InChIInChI=1S/C6H9F3O3/c1-2-11-5(10)12-4-3-6(7,8)9/h2-4H2,1H3
InChIKeyXAZUDLCFKLYIKV-UHFFFAOYSA-N
XLogP2.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propan-1-ol;propyl 3,3,3-trifluoropropyl carbonate
CID 162162054
bis(6,6,6-trifluorohexyl) carbonate
CID 175170485
diethyl carbonate;N,N-dimethylmethanamine
CID 88502244
CID 175796855
CID 175796855
3,3,3-trifluoropropyl carbamate
CID 3768992
magnesium;diethyl carbonate;hydride
CID 173249173
acetylene;diethyl carbonate
CID 87073597
3,3,3-trifluoropropyl 2-ethyl-2,3,3-trimethylbutanoate
CID 146204225
ethyl (2R)-2-amino-5,5,5-trifluoropentanoate
CID 95378431
diethyl carbonate;ethane-1,2-diol
CID 19764063
ethyl 2-(2-ethoxycarbonyloxyethyl)-2,4-dimethylpentanoate
CID 122517263
3,3,4,4,5,5,6,6,6-nonafluorohexyl propyl carbonate
CID 99769637

Frequently Asked Questions

What is the IUPAC name of ethyl 3,3,3-trifluoropropyl carbonate?
The IUPAC name of ethyl 3,3,3-trifluoropropyl carbonate (CID 134583803) is ethyl 3,3,3-trifluoropropyl carbonate.
What is the SMILES notation for ethyl 3,3,3-trifluoropropyl carbonate?
The canonical SMILES for ethyl 3,3,3-trifluoropropyl carbonate is CCOC(=O)OCCC(F)(F)F.
What is the InChIKey of ethyl 3,3,3-trifluoropropyl carbonate?
The InChIKey is XAZUDLCFKLYIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O3/c1-2-11-5(10)12-4-3-6(7,8)9/h2-4H2,1H3.
What are the key properties of ethyl 3,3,3-trifluoropropyl carbonate?
ethyl 3,3,3-trifluoropropyl carbonate has a molecular weight of 186.13 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3,3-trifluoropropyl carbonate is sourced from PubChem (CID 134583803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).