[(E)-1,3,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxy]prop-1-en-2-yl]benzene

C13H14F4O — CID 10825346

IUPAC[(E)-1,3,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxy]prop-1-en-2-yl]benzene
SMILESCC(C)(C)O/C(F)=C(/c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H14F4O/c1-12(2,3)18-11(14)10(13(15,16)17)9-7-5-4-6-8-9/h4-8H,1-3H3/b11-10-
InChIKeyPAYBWXTXOYVWHB-KHPPLWFESA-N
MW262.25 g/mol
LogP4.70
Rot. Bonds2

About [(E)-1,3,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxy]prop-1-en-2-yl]benzene

[(E)-1,3,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxy]prop-1-en-2-yl]benzene (PubChem CID 10825346) has the molecular formula C13H14F4O and a molecular weight of 262.25 g/mol. Its IUPAC name is [(E)-1,3,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxy]prop-1-en-2-yl]benzene.

Molecular Properties

Compound Name[(E)-1,3,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxy]prop-1-en-2-yl]benzene
PubChem CID10825346
Molecular FormulaC13H14F4O
Molecular Weight262.25 g/mol
Exact Mass262.10
IUPAC Name[(E)-1,3,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxy]prop-1-en-2-yl]benzene
SMILESCC(C)(C)O/C(F)=C(/c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H14F4O/c1-12(2,3)18-11(14)10(13(15,16)17)9-7-5-4-6-8-9/h4-8H,1-3H3/b11-10-
InChIKeyPAYBWXTXOYVWHB-KHPPLWFESA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(E)-1,3,3,3-tetrafluoro-1-propan-2-yloxyprop-1-en-2-yl]benzene
CID 10729195
(1,1-dichloro-3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 11770583
O-tert-butyl benzenecarbothioate
CID 56986939
1-phenyl-4-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)benzene
CID 166438756
CID 162139404
CID 162139404
tert-butyl 2-benzoyl-3,3,3-trifluoro-2-phenylpropanoate
CID 157450024
tert-butyl 2-benzoyl-3,3,3-trifluoro-2-methylpropanoate
CID 102326768
1-methyl-4-[(Z)-4,4,4-trifluoro-3-phenylbut-2-en-2-yl]benzene
CID 11747812
benzoic acid;tert-butyl acetate
CID 143820890
tert-butyl 2-benzoyl-3,3,3-trifluoropropanoate
CID 15001701
4,4,5,5-tetramethyl-2-(1,3,3,3-tetrafluoro-2-phenylprop-1-enyl)-1,3,2-dioxaborolane
CID 171112040
(E)-2-bromo-4,4,4-trifluoro-3-phenylbut-2-enenitrile
CID 15142419

Frequently Asked Questions

What is the IUPAC name of [(E)-1,3,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxy]prop-1-en-2-yl]benzene?
The IUPAC name of [(E)-1,3,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxy]prop-1-en-2-yl]benzene (CID 10825346) is [(E)-1,3,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxy]prop-1-en-2-yl]benzene.
What is the SMILES notation for [(E)-1,3,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxy]prop-1-en-2-yl]benzene?
The canonical SMILES for [(E)-1,3,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxy]prop-1-en-2-yl]benzene is CC(C)(C)O/C(F)=C(/c1ccccc1)C(F)(F)F.
What is the InChIKey of [(E)-1,3,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxy]prop-1-en-2-yl]benzene?
The InChIKey is PAYBWXTXOYVWHB-KHPPLWFESA-N. The full InChI is InChI=1S/C13H14F4O/c1-12(2,3)18-11(14)10(13(15,16)17)9-7-5-4-6-8-9/h4-8H,1-3H3/b11-10-.
What are the key properties of [(E)-1,3,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxy]prop-1-en-2-yl]benzene?
[(E)-1,3,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxy]prop-1-en-2-yl]benzene has a molecular weight of 262.25 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1,3,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxy]prop-1-en-2-yl]benzene is sourced from PubChem (CID 10825346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).