(Z)-4,4,4-trifluoro-3-iodo-1,1-diphenylbut-2-en-1-ol

C16H12F3IO — CID 11223415

IUPAC(Z)-4,4,4-trifluoro-3-iodo-1,1-diphenylbut-2-en-1-ol
SMILESOC(/C=C(\I)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H12F3IO/c17-16(18,19)14(20)11-15(21,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,21H/b14-11-
InChIKeyVMDKRGZIPGLGGV-KAMYIIQDSA-N
MW404.17 g/mol
LogP4.80
Rot. Bonds3

About (Z)-4,4,4-trifluoro-3-iodo-1,1-diphenylbut-2-en-1-ol

(Z)-4,4,4-trifluoro-3-iodo-1,1-diphenylbut-2-en-1-ol (PubChem CID 11223415) has the molecular formula C16H12F3IO and a molecular weight of 404.17 g/mol. Its IUPAC name is (Z)-4,4,4-trifluoro-3-iodo-1,1-diphenylbut-2-en-1-ol.

Molecular Properties

Compound Name(Z)-4,4,4-trifluoro-3-iodo-1,1-diphenylbut-2-en-1-ol
PubChem CID11223415
Molecular FormulaC16H12F3IO
Molecular Weight404.17 g/mol
Exact Mass403.99
IUPAC Name(Z)-4,4,4-trifluoro-3-iodo-1,1-diphenylbut-2-en-1-ol
SMILESOC(/C=C(\I)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H12F3IO/c17-16(18,19)14(20)11-15(21,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,21H/b14-11-
InChIKeyVMDKRGZIPGLGGV-KAMYIIQDSA-N
XLogP4.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.17
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4,4,4-trifluoro-3-iodo-1,1-diphenylbut-2-en-1-ol?
The IUPAC name of (Z)-4,4,4-trifluoro-3-iodo-1,1-diphenylbut-2-en-1-ol (CID 11223415) is (Z)-4,4,4-trifluoro-3-iodo-1,1-diphenylbut-2-en-1-ol.
What is the SMILES notation for (Z)-4,4,4-trifluoro-3-iodo-1,1-diphenylbut-2-en-1-ol?
The canonical SMILES for (Z)-4,4,4-trifluoro-3-iodo-1,1-diphenylbut-2-en-1-ol is OC(/C=C(\I)C(F)(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-4,4,4-trifluoro-3-iodo-1,1-diphenylbut-2-en-1-ol?
The InChIKey is VMDKRGZIPGLGGV-KAMYIIQDSA-N. The full InChI is InChI=1S/C16H12F3IO/c17-16(18,19)14(20)11-15(21,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,21H/b14-11-.
What are the key properties of (Z)-4,4,4-trifluoro-3-iodo-1,1-diphenylbut-2-en-1-ol?
(Z)-4,4,4-trifluoro-3-iodo-1,1-diphenylbut-2-en-1-ol has a molecular weight of 404.17 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4,4-trifluoro-3-iodo-1,1-diphenylbut-2-en-1-ol is sourced from PubChem (CID 11223415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).