2,2-difluoroethyl 2-methylpropanoate

C6H10F2O2 — CID 87205519

IUPAC2,2-difluoroethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCC(F)F
InChIInChI=1S/C6H10F2O2/c1-4(2)6(9)10-3-5(7)8/h4-5H,3H2,1-2H3
InChIKeyIDFROTCNVJFJID-UHFFFAOYSA-N
MW152.14 g/mol
LogP1.45
Rot. Bonds3

About 2,2-difluoroethyl 2-methylpropanoate

2,2-difluoroethyl 2-methylpropanoate (PubChem CID 87205519) has the molecular formula C6H10F2O2 and a molecular weight of 152.14 g/mol. Its IUPAC name is 2,2-difluoroethyl 2-methylpropanoate.

Molecular Properties

Compound Name2,2-difluoroethyl 2-methylpropanoate
PubChem CID87205519
Molecular FormulaC6H10F2O2
Molecular Weight152.14 g/mol
Exact Mass152.06
IUPAC Name2,2-difluoroethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCC(F)F
InChIInChI=1S/C6H10F2O2/c1-4(2)6(9)10-3-5(7)8/h4-5H,3H2,1-2H3
InChIKeyIDFROTCNVJFJID-UHFFFAOYSA-N
XLogP1.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.14
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethyl 2-methylpropanoate?
The IUPAC name of 2,2-difluoroethyl 2-methylpropanoate (CID 87205519) is 2,2-difluoroethyl 2-methylpropanoate.
What is the SMILES notation for 2,2-difluoroethyl 2-methylpropanoate?
The canonical SMILES for 2,2-difluoroethyl 2-methylpropanoate is CC(C)C(=O)OCC(F)F.
What is the InChIKey of 2,2-difluoroethyl 2-methylpropanoate?
The InChIKey is IDFROTCNVJFJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O2/c1-4(2)6(9)10-3-5(7)8/h4-5H,3H2,1-2H3.
What are the key properties of 2,2-difluoroethyl 2-methylpropanoate?
2,2-difluoroethyl 2-methylpropanoate has a molecular weight of 152.14 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl 2-methylpropanoate is sourced from PubChem (CID 87205519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).