2-ethoxy-4-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]phenol

C12H10F6O4S — CID 118400665

IUPAC2-ethoxy-4-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]phenol
SMILESCCOc1cc(/C=C(/C(F)(F)F)S(=O)(=O)C(F)(F)F)ccc1O
InChIInChI=1S/C12H10F6O4S/c1-2-22-9-5-7(3-4-8(9)19)6-10(11(13,14)15)23(20,21)12(16,17)18/h3-6,19H,2H2,1H3/b10-6-
InChIKeyDLOQUAGIQAAGBK-POHAHGRESA-N
MW364.26 g/mol
LogP3.63
Rot. Bonds4

About 2-ethoxy-4-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]phenol

2-ethoxy-4-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]phenol (PubChem CID 118400665) has the molecular formula C12H10F6O4S and a molecular weight of 364.26 g/mol. Its IUPAC name is 2-ethoxy-4-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]phenol
PubChem CID118400665
Molecular FormulaC12H10F6O4S
Molecular Weight364.26 g/mol
Exact Mass364.02
IUPAC Name2-ethoxy-4-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]phenol
SMILESCCOc1cc(/C=C(/C(F)(F)F)S(=O)(=O)C(F)(F)F)ccc1O
InChIInChI=1S/C12H10F6O4S/c1-2-22-9-5-7(3-4-8(9)19)6-10(11(13,14)15)23(20,21)12(16,17)18/h3-6,19H,2H2,1H3/b10-6-
InChIKeyDLOQUAGIQAAGBK-POHAHGRESA-N
XLogP3.63
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.26
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-dichloroethenyl)-2-ethoxyphenol
CID 87569986
3-ethoxy-4-hydroxybenzaldehyde;formic acid
CID 175904717
ethyl (E)-3-(3-ethoxy-4-hydroxyphenyl)-2-methylprop-2-enoate
CID 86626101
(E)-3-(3-ethoxy-4-hydroxyphenyl)-2-(4-fluorophenyl)sulfonylprop-2-enenitrile
CID 22000602
(E)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enal
CID 82362855
2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol
CID 135832909
1-[(3E)-3-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-hydroxycyclopenten-1-yl]-2,2,2-trifluoroethanone
CID 6152065
(Z)-2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoic acid
CID 83954190
1-[(3E)-3-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-hydroxycyclohexen-1-yl]-2,2,2-trifluoroethanone
CID 900696
(E)-2-[(4-chlorophenyl)methylsulfonyl]-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enenitrile
CID 25052662
(E)-N-benzyl-1-cyano-2-(3-ethoxy-4-hydroxyphenyl)ethenesulfonamide
CID 22000632
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-fluorobenzenesulfonamide
CID 136873420

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]phenol?
The IUPAC name of 2-ethoxy-4-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]phenol (CID 118400665) is 2-ethoxy-4-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]phenol?
The canonical SMILES for 2-ethoxy-4-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]phenol is CCOc1cc(/C=C(/C(F)(F)F)S(=O)(=O)C(F)(F)F)ccc1O.
What is the InChIKey of 2-ethoxy-4-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]phenol?
The InChIKey is DLOQUAGIQAAGBK-POHAHGRESA-N. The full InChI is InChI=1S/C12H10F6O4S/c1-2-22-9-5-7(3-4-8(9)19)6-10(11(13,14)15)23(20,21)12(16,17)18/h3-6,19H,2H2,1H3/b10-6-.
What are the key properties of 2-ethoxy-4-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]phenol?
2-ethoxy-4-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]phenol has a molecular weight of 364.26 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]phenol is sourced from PubChem (CID 118400665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).