2-[tetrafluoro(trifluoromethyl)-λ6-sulfanyl]ethyl prop-2-enoate

C6H7F7O2S — CID 169488853

IUPAC2-[tetrafluoro(trifluoromethyl)-λ6-sulfanyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCS(F)(F)(F)(F)C(F)(F)F
InChIInChI=1S/C6H7F7O2S/c1-2-5(14)15-3-4-16(10,11,12,13)6(7,8)9/h2H,1,3-4H2
InChIKeyQUVWSGDYMUTKHG-UHFFFAOYSA-N
MW276.17 g/mol
LogP3.65
Rot. Bonds4

About 2-[tetrafluoro(trifluoromethyl)-λ6-sulfanyl]ethyl prop-2-enoate

2-[tetrafluoro(trifluoromethyl)-λ6-sulfanyl]ethyl prop-2-enoate (PubChem CID 169488853) has the molecular formula C6H7F7O2S and a molecular weight of 276.17 g/mol. Its IUPAC name is 2-[tetrafluoro(trifluoromethyl)-λ6-sulfanyl]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[tetrafluoro(trifluoromethyl)-λ6-sulfanyl]ethyl prop-2-enoate
PubChem CID169488853
Molecular FormulaC6H7F7O2S
Molecular Weight276.17 g/mol
Exact Mass276.01
IUPAC Name2-[tetrafluoro(trifluoromethyl)-λ6-sulfanyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCS(F)(F)(F)(F)C(F)(F)F
InChIInChI=1S/C6H7F7O2S/c1-2-5(14)15-3-4-16(10,11,12,13)6(7,8)9/h2H,1,3-4H2
InChIKeyQUVWSGDYMUTKHG-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[tetrafluoro(trifluoromethyl)-λ6-sulfanyl]ethyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
3,3-difluorobutyl prop-2-enoate
CID 139844098
2-chloroethyl prop-2-enoate;ruthenium
CID 90254573
2-chloroethyl prop-2-enoate
CID 16627
3,3,4,4,7,7,8,8,11,11,12,12,12-tridecafluorododecyl prop-2-enoate
CID 87121766
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
6,6,6-trifluorohex-4-enyl prop-2-enoate
CID 175221470
4-O-(2-prop-2-enoyloxyethyl) 1-O-(3,3,3-trifluoropropyl) butanedioate
CID 88573928
2-fluoroethyl prop-2-enoate;fluoromethyl prop-2-enoate
CID 160659277
trifluoromethyl prop-2-enoate
CID 10197737

Frequently Asked Questions

What is the IUPAC name of 2-[tetrafluoro(trifluoromethyl)-λ6-sulfanyl]ethyl prop-2-enoate?
The IUPAC name of 2-[tetrafluoro(trifluoromethyl)-λ6-sulfanyl]ethyl prop-2-enoate (CID 169488853) is 2-[tetrafluoro(trifluoromethyl)-λ6-sulfanyl]ethyl prop-2-enoate.
What is the SMILES notation for 2-[tetrafluoro(trifluoromethyl)-λ6-sulfanyl]ethyl prop-2-enoate?
The canonical SMILES for 2-[tetrafluoro(trifluoromethyl)-λ6-sulfanyl]ethyl prop-2-enoate is C=CC(=O)OCCS(F)(F)(F)(F)C(F)(F)F.
What is the InChIKey of 2-[tetrafluoro(trifluoromethyl)-λ6-sulfanyl]ethyl prop-2-enoate?
The InChIKey is QUVWSGDYMUTKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F7O2S/c1-2-5(14)15-3-4-16(10,11,12,13)6(7,8)9/h2H,1,3-4H2.
What are the key properties of 2-[tetrafluoro(trifluoromethyl)-λ6-sulfanyl]ethyl prop-2-enoate?
2-[tetrafluoro(trifluoromethyl)-λ6-sulfanyl]ethyl prop-2-enoate has a molecular weight of 276.17 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tetrafluoro(trifluoromethyl)-λ6-sulfanyl]ethyl prop-2-enoate is sourced from PubChem (CID 169488853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).