(E)-1,1-difluoro-2-methyl-4-phenylbut-3-en-2-ol

C11H12F2O — CID 132542580

IUPAC(E)-1,1-difluoro-2-methyl-4-phenylbut-3-en-2-ol
SMILESCC(O)(/C=C/c1ccccc1)C(F)F
InChIInChI=1S/C11H12F2O/c1-11(14,10(12)13)8-7-9-5-3-2-4-6-9/h2-8,10,14H,1H3/b8-7+
InChIKeyLZRVGRDVQOEONF-BQYQJAHWSA-N
MW198.21 g/mol
LogP2.72
Rot. Bonds3

About (E)-1,1-difluoro-2-methyl-4-phenylbut-3-en-2-ol

(E)-1,1-difluoro-2-methyl-4-phenylbut-3-en-2-ol (PubChem CID 132542580) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is (E)-1,1-difluoro-2-methyl-4-phenylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-1,1-difluoro-2-methyl-4-phenylbut-3-en-2-ol
PubChem CID132542580
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name(E)-1,1-difluoro-2-methyl-4-phenylbut-3-en-2-ol
SMILESCC(O)(/C=C/c1ccccc1)C(F)F
InChIInChI=1S/C11H12F2O/c1-11(14,10(12)13)8-7-9-5-3-2-4-6-9/h2-8,10,14H,1H3/b8-7+
InChIKeyLZRVGRDVQOEONF-BQYQJAHWSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-Phenyl-3-buten-2-ol, (3E)-
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2-Methyl-3-phenyl-2-propen-1-ol
CID 560879
4-Phenyl-2-methyl-3-butyn-2-ol
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2-Buten-1-ol, 3-phenyl-
CID 5462893
(Z)-3-Phenyl-2-propen-1-ol
CID 5280511
3-Buten-2-ol, 2-methyl-4-phenyl-, (3E)-
CID 6282889
(4Z,6E)-1,1,1,2,2-pentafluoro-5-hydroxy-7-phenylhepta-4,6-dien-3-one
CID 162655979

Frequently Asked Questions

What is the IUPAC name of (E)-1,1-difluoro-2-methyl-4-phenylbut-3-en-2-ol?
The IUPAC name of (E)-1,1-difluoro-2-methyl-4-phenylbut-3-en-2-ol (CID 132542580) is (E)-1,1-difluoro-2-methyl-4-phenylbut-3-en-2-ol.
What is the SMILES notation for (E)-1,1-difluoro-2-methyl-4-phenylbut-3-en-2-ol?
The canonical SMILES for (E)-1,1-difluoro-2-methyl-4-phenylbut-3-en-2-ol is CC(O)(/C=C/c1ccccc1)C(F)F.
What is the InChIKey of (E)-1,1-difluoro-2-methyl-4-phenylbut-3-en-2-ol?
The InChIKey is LZRVGRDVQOEONF-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H12F2O/c1-11(14,10(12)13)8-7-9-5-3-2-4-6-9/h2-8,10,14H,1H3/b8-7+.
What are the key properties of (E)-1,1-difluoro-2-methyl-4-phenylbut-3-en-2-ol?
(E)-1,1-difluoro-2-methyl-4-phenylbut-3-en-2-ol has a molecular weight of 198.21 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1-difluoro-2-methyl-4-phenylbut-3-en-2-ol is sourced from PubChem (CID 132542580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).