[(E)-1,3,3,3-tetrafluoro-1-propan-2-yloxyprop-1-en-2-yl]benzene

C12H12F4O — CID 10729195

IUPAC[(E)-1,3,3,3-tetrafluoro-1-propan-2-yloxyprop-1-en-2-yl]benzene
SMILESCC(C)O/C(F)=C(/c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H12F4O/c1-8(2)17-11(13)10(12(14,15)16)9-6-4-3-5-7-9/h3-8H,1-2H3/b11-10-
InChIKeyNIVYUMJFVOIGSI-KHPPLWFESA-N
MW248.22 g/mol
LogP4.31
Rot. Bonds3

About [(E)-1,3,3,3-tetrafluoro-1-propan-2-yloxyprop-1-en-2-yl]benzene

[(E)-1,3,3,3-tetrafluoro-1-propan-2-yloxyprop-1-en-2-yl]benzene (PubChem CID 10729195) has the molecular formula C12H12F4O and a molecular weight of 248.22 g/mol. Its IUPAC name is [(E)-1,3,3,3-tetrafluoro-1-propan-2-yloxyprop-1-en-2-yl]benzene.

Molecular Properties

Compound Name[(E)-1,3,3,3-tetrafluoro-1-propan-2-yloxyprop-1-en-2-yl]benzene
PubChem CID10729195
Molecular FormulaC12H12F4O
Molecular Weight248.22 g/mol
Exact Mass248.08
IUPAC Name[(E)-1,3,3,3-tetrafluoro-1-propan-2-yloxyprop-1-en-2-yl]benzene
SMILESCC(C)O/C(F)=C(/c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H12F4O/c1-8(2)17-11(13)10(12(14,15)16)9-6-4-3-5-7-9/h3-8H,1-2H3/b11-10-
InChIKeyNIVYUMJFVOIGSI-KHPPLWFESA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 54.31
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-[(2-methylpropan-2-yl)oxy]prop-1-en-2-yl]benzene
CID 10825346
(1,1-dichloro-3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 11770583
1-phenyl-4-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)benzene
CID 166438756
2,2-dichloro-2-fluoro-1-phenyl-N-propan-2-ylethanimine
CID 102322180
(E)-2-bromo-4,4,4-trifluoro-3-phenylbut-2-enenitrile
CID 15142419
1-methyl-4-[(Z)-4,4,4-trifluoro-3-phenylbut-2-en-2-yl]benzene
CID 11747812
(2,2-diiodo-1-propan-2-yloxyethenyl)benzene
CID 14092920
4,4,5,5-tetramethyl-2-(1,3,3,3-tetrafluoro-2-phenylprop-1-enyl)-1,3,2-dioxaborolane
CID 171112040
methyl 3-phenyl-2,3-di(propan-2-yloxy)prop-2-enoate
CID 139724579
3-benzoyloxy-2,2-difluorobutanoic acid
CID 164747020
1,1,1-trichloropropan-2-yl benzoate
CID 569862
1-fluoro-4-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylprop-1-enyl]benzene
CID 21274917

Frequently Asked Questions

What is the IUPAC name of [(E)-1,3,3,3-tetrafluoro-1-propan-2-yloxyprop-1-en-2-yl]benzene?
The IUPAC name of [(E)-1,3,3,3-tetrafluoro-1-propan-2-yloxyprop-1-en-2-yl]benzene (CID 10729195) is [(E)-1,3,3,3-tetrafluoro-1-propan-2-yloxyprop-1-en-2-yl]benzene.
What is the SMILES notation for [(E)-1,3,3,3-tetrafluoro-1-propan-2-yloxyprop-1-en-2-yl]benzene?
The canonical SMILES for [(E)-1,3,3,3-tetrafluoro-1-propan-2-yloxyprop-1-en-2-yl]benzene is CC(C)O/C(F)=C(/c1ccccc1)C(F)(F)F.
What is the InChIKey of [(E)-1,3,3,3-tetrafluoro-1-propan-2-yloxyprop-1-en-2-yl]benzene?
The InChIKey is NIVYUMJFVOIGSI-KHPPLWFESA-N. The full InChI is InChI=1S/C12H12F4O/c1-8(2)17-11(13)10(12(14,15)16)9-6-4-3-5-7-9/h3-8H,1-2H3/b11-10-.
What are the key properties of [(E)-1,3,3,3-tetrafluoro-1-propan-2-yloxyprop-1-en-2-yl]benzene?
[(E)-1,3,3,3-tetrafluoro-1-propan-2-yloxyprop-1-en-2-yl]benzene has a molecular weight of 248.22 g/mol, XLogP of 4.31, 3 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-propan-2-yloxyprop-1-en-2-yl]benzene is sourced from PubChem (CID 10729195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).