2-(2-fluoroacetyl)oxybutan-2-yl 2-fluoroacetate

C8H12F2O4 — CID 164901002

IUPAC2-(2-fluoroacetyl)oxybutan-2-yl 2-fluoroacetate
SMILESCCC(C)(OC(=O)CF)OC(=O)CF
InChIInChI=1S/C8H12F2O4/c1-3-8(2,13-6(11)4-9)14-7(12)5-10/h3-5H2,1-2H3
InChIKeyBHHUXFJTMSHOOS-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.14
Rot. Bonds5

About 2-(2-fluoroacetyl)oxybutan-2-yl 2-fluoroacetate

2-(2-fluoroacetyl)oxybutan-2-yl 2-fluoroacetate (PubChem CID 164901002) has the molecular formula C8H12F2O4 and a molecular weight of 210.18 g/mol. Its IUPAC name is 2-(2-fluoroacetyl)oxybutan-2-yl 2-fluoroacetate.

Molecular Properties

Compound Name2-(2-fluoroacetyl)oxybutan-2-yl 2-fluoroacetate
PubChem CID164901002
Molecular FormulaC8H12F2O4
Molecular Weight210.18 g/mol
Exact Mass210.07
IUPAC Name2-(2-fluoroacetyl)oxybutan-2-yl 2-fluoroacetate
SMILESCCC(C)(OC(=O)CF)OC(=O)CF
InChIInChI=1S/C8H12F2O4/c1-3-8(2,13-6(11)4-9)14-7(12)5-10/h3-5H2,1-2H3
InChIKeyBHHUXFJTMSHOOS-UHFFFAOYSA-N
XLogP1.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

trifluoromethyl 2-fluoroacetate
CID 151136868
1,1,2-trifluoroethyl 2-fluoroacetate
CID 151748690
2-methylbutan-2-yl 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]peroxyacetate
CID 141485215
2-fluorobutan-2-yl propanoate
CID 158975712
2-methylbutan-2-yl 2-(2-methylbutan-2-yloxy)acetate
CID 140993287
bis(3-methylpentan-3-yl) butanedioate
CID 141267008
propyl 2-fluoroacetate
CID 24957
2,2-difluorobutanoic acid;ethyl 2-fluoroacetate
CID 175803499
2-methylbutan-2-yl 2-(methylamino)acetate
CID 134215865
ethyl 2-fluoroacetate;propanoic acid
CID 175746164
bis(3-methylpentan-3-yl) hexanedioate
CID 141267007
(2-methyl-1-oxopropan-2-yl) propanoate
CID 88871644

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroacetyl)oxybutan-2-yl 2-fluoroacetate?
The IUPAC name of 2-(2-fluoroacetyl)oxybutan-2-yl 2-fluoroacetate (CID 164901002) is 2-(2-fluoroacetyl)oxybutan-2-yl 2-fluoroacetate.
What is the SMILES notation for 2-(2-fluoroacetyl)oxybutan-2-yl 2-fluoroacetate?
The canonical SMILES for 2-(2-fluoroacetyl)oxybutan-2-yl 2-fluoroacetate is CCC(C)(OC(=O)CF)OC(=O)CF.
What is the InChIKey of 2-(2-fluoroacetyl)oxybutan-2-yl 2-fluoroacetate?
The InChIKey is BHHUXFJTMSHOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O4/c1-3-8(2,13-6(11)4-9)14-7(12)5-10/h3-5H2,1-2H3.
What are the key properties of 2-(2-fluoroacetyl)oxybutan-2-yl 2-fluoroacetate?
2-(2-fluoroacetyl)oxybutan-2-yl 2-fluoroacetate has a molecular weight of 210.18 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroacetyl)oxybutan-2-yl 2-fluoroacetate is sourced from PubChem (CID 164901002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).