1,1,1,2-tetrafluoropropan-2-yl 2,3,3-trifluoroprop-2-enoate

C6H3F7O2 — CID 87871976

IUPAC1,1,1,2-tetrafluoropropan-2-yl 2,3,3-trifluoroprop-2-enoate
SMILESCC(F)(OC(=O)C(F)=C(F)F)C(F)(F)F
InChIInChI=1S/C6H3F7O2/c1-5(10,6(11,12)13)15-4(14)2(7)3(8)9/h1H3
InChIKeyWITDVZUGSKHFOL-UHFFFAOYSA-N
MW240.07 g/mol
LogP2.86
Rot. Bonds2

About 1,1,1,2-tetrafluoropropan-2-yl 2,3,3-trifluoroprop-2-enoate

1,1,1,2-tetrafluoropropan-2-yl 2,3,3-trifluoroprop-2-enoate (PubChem CID 87871976) has the molecular formula C6H3F7O2 and a molecular weight of 240.07 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoropropan-2-yl 2,3,3-trifluoroprop-2-enoate.

Molecular Properties

Compound Name1,1,1,2-tetrafluoropropan-2-yl 2,3,3-trifluoroprop-2-enoate
PubChem CID87871976
Molecular FormulaC6H3F7O2
Molecular Weight240.07 g/mol
Exact Mass240.00
IUPAC Name1,1,1,2-tetrafluoropropan-2-yl 2,3,3-trifluoroprop-2-enoate
SMILESCC(F)(OC(=O)C(F)=C(F)F)C(F)(F)F
InChIInChI=1S/C6H3F7O2/c1-5(10,6(11,12)13)15-4(14)2(7)3(8)9/h1H3
InChIKeyWITDVZUGSKHFOL-UHFFFAOYSA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.07
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,1,2-trifluoroethyl 2,3,3-trifluoroprop-2-enoate
CID 140506877
propan-2-yl 2,3,3-trifluoroprop-2-enoate
CID 13033423
1,1,1,2-tetrafluoropropan-2-yl prop-2-enoate
CID 139659236
1,1,2-trifluoropropan-2-yl 2-fluoroprop-2-enoate
CID 19741879
(2-chloro-1,1,1,3,3,3-hexafluoropropan-2-yl) carbonofluoridate
CID 154335503
bis[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl] (E)-but-2-enedioate
CID 88614543
2-(2,2-difluoroethenoxy)-1,1,1,2-tetrafluoropropane
CID 59078965
(1,1,1-trifluoro-2-methylpropan-2-yl) 2,2-dimethylpropanoate
CID 130411404
tert-butyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate
CID 71672018
methane;propan-2-one;1,1,1-trifluoro-2-methoxy-2-methylpropane
CID 162111882
methyl 2,2,3,3,5,6,6-heptafluoro-4-oxohex-5-enoate
CID 19741883
2-fluoropropan-2-yl hydrogen carbonate
CID 87318684

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluoropropan-2-yl 2,3,3-trifluoroprop-2-enoate?
The IUPAC name of 1,1,1,2-tetrafluoropropan-2-yl 2,3,3-trifluoroprop-2-enoate (CID 87871976) is 1,1,1,2-tetrafluoropropan-2-yl 2,3,3-trifluoroprop-2-enoate.
What is the SMILES notation for 1,1,1,2-tetrafluoropropan-2-yl 2,3,3-trifluoroprop-2-enoate?
The canonical SMILES for 1,1,1,2-tetrafluoropropan-2-yl 2,3,3-trifluoroprop-2-enoate is CC(F)(OC(=O)C(F)=C(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluoropropan-2-yl 2,3,3-trifluoroprop-2-enoate?
The InChIKey is WITDVZUGSKHFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F7O2/c1-5(10,6(11,12)13)15-4(14)2(7)3(8)9/h1H3.
What are the key properties of 1,1,1,2-tetrafluoropropan-2-yl 2,3,3-trifluoroprop-2-enoate?
1,1,1,2-tetrafluoropropan-2-yl 2,3,3-trifluoroprop-2-enoate has a molecular weight of 240.07 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluoropropan-2-yl 2,3,3-trifluoroprop-2-enoate is sourced from PubChem (CID 87871976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).