fluoromethyl 1,1,1-trifluorobutan-2-yl carbonate

C6H8F4O3 — CID 23590305

IUPACfluoromethyl 1,1,1-trifluorobutan-2-yl carbonate
SMILESCCC(OC(=O)OCF)C(F)(F)F
InChIInChI=1S/C6H8F4O3/c1-2-4(6(8,9)10)13-5(11)12-3-7/h4H,2-3H2,1H3
InChIKeyHVEZIRVLDFQTGF-UHFFFAOYSA-N
MW204.12 g/mol
LogP2.41
Rot. Bonds3

About fluoromethyl 1,1,1-trifluorobutan-2-yl carbonate

fluoromethyl 1,1,1-trifluorobutan-2-yl carbonate (PubChem CID 23590305) has the molecular formula C6H8F4O3 and a molecular weight of 204.12 g/mol. Its IUPAC name is fluoromethyl 1,1,1-trifluorobutan-2-yl carbonate.

Molecular Properties

Compound Namefluoromethyl 1,1,1-trifluorobutan-2-yl carbonate
PubChem CID23590305
Molecular FormulaC6H8F4O3
Molecular Weight204.12 g/mol
Exact Mass204.04
IUPAC Namefluoromethyl 1,1,1-trifluorobutan-2-yl carbonate
SMILESCCC(OC(=O)OCF)C(F)(F)F
InChIInChI=1S/C6H8F4O3/c1-2-4(6(8,9)10)13-5(11)12-3-7/h4H,2-3H2,1H3
InChIKeyHVEZIRVLDFQTGF-UHFFFAOYSA-N
XLogP2.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.12
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of fluoromethyl 1,1,1-trifluorobutan-2-yl carbonate?
The IUPAC name of fluoromethyl 1,1,1-trifluorobutan-2-yl carbonate (CID 23590305) is fluoromethyl 1,1,1-trifluorobutan-2-yl carbonate.
What is the SMILES notation for fluoromethyl 1,1,1-trifluorobutan-2-yl carbonate?
The canonical SMILES for fluoromethyl 1,1,1-trifluorobutan-2-yl carbonate is CCC(OC(=O)OCF)C(F)(F)F.
What is the InChIKey of fluoromethyl 1,1,1-trifluorobutan-2-yl carbonate?
The InChIKey is HVEZIRVLDFQTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F4O3/c1-2-4(6(8,9)10)13-5(11)12-3-7/h4H,2-3H2,1H3.
What are the key properties of fluoromethyl 1,1,1-trifluorobutan-2-yl carbonate?
fluoromethyl 1,1,1-trifluorobutan-2-yl carbonate has a molecular weight of 204.12 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl 1,1,1-trifluorobutan-2-yl carbonate is sourced from PubChem (CID 23590305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).