trifluoromethyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate

C5F8O2 — CID 23067825

IUPACtrifluoromethyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate
SMILESO=C(OC(F)(F)F)C(=C(F)F)C(F)(F)F
InChIInChI=1S/C5F8O2/c6-2(7)1(4(8,9)10)3(14)15-5(11,12)13
InChIKeyFWXRPYSNFKXVDH-UHFFFAOYSA-N
MW244.04 g/mol
LogP2.76
Rot. Bonds1

About trifluoromethyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate

trifluoromethyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate (PubChem CID 23067825) has the molecular formula C5F8O2 and a molecular weight of 244.04 g/mol. Its IUPAC name is trifluoromethyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate.

Molecular Properties

Compound Nametrifluoromethyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate
PubChem CID23067825
Molecular FormulaC5F8O2
Molecular Weight244.04 g/mol
Exact Mass243.98
IUPAC Nametrifluoromethyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate
SMILESO=C(OC(F)(F)F)C(=C(F)F)C(F)(F)F
InChIInChI=1S/C5F8O2/c6-2(7)1(4(8,9)10)3(14)15-5(11,12)13
InChIKeyFWXRPYSNFKXVDH-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.04
LogP ≤ 52.76
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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Frequently Asked Questions

What is the IUPAC name of trifluoromethyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate?
The IUPAC name of trifluoromethyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate (CID 23067825) is trifluoromethyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate.
What is the SMILES notation for trifluoromethyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate?
The canonical SMILES for trifluoromethyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate is O=C(OC(F)(F)F)C(=C(F)F)C(F)(F)F.
What is the InChIKey of trifluoromethyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate?
The InChIKey is FWXRPYSNFKXVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F8O2/c6-2(7)1(4(8,9)10)3(14)15-5(11,12)13.
What are the key properties of trifluoromethyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate?
trifluoromethyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate has a molecular weight of 244.04 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate is sourced from PubChem (CID 23067825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).