(3R)-1,1,1,2,2-pentafluoro-3-phenylhexa-4,5-dien-3-ol

C12H9F5O — CID 118988098

IUPAC(3R)-1,1,1,2,2-pentafluoro-3-phenylhexa-4,5-dien-3-ol
SMILESC=C=C[C@@](O)(c1ccccc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H9F5O/c1-2-8-10(18,9-6-4-3-5-7-9)11(13,14)12(15,16)17/h3-8,18H,1H2/t10-/m1/s1
InChIKeyZNHJVWKGMIFWOT-SNVBAGLBSA-N
MW264.19 g/mol
LogP3.41
Rot. Bonds3

About (3R)-1,1,1,2,2-pentafluoro-3-phenylhexa-4,5-dien-3-ol

(3R)-1,1,1,2,2-pentafluoro-3-phenylhexa-4,5-dien-3-ol (PubChem CID 118988098) has the molecular formula C12H9F5O and a molecular weight of 264.19 g/mol. Its IUPAC name is (3R)-1,1,1,2,2-pentafluoro-3-phenylhexa-4,5-dien-3-ol.

Molecular Properties

Compound Name(3R)-1,1,1,2,2-pentafluoro-3-phenylhexa-4,5-dien-3-ol
PubChem CID118988098
Molecular FormulaC12H9F5O
Molecular Weight264.19 g/mol
Exact Mass264.06
IUPAC Name(3R)-1,1,1,2,2-pentafluoro-3-phenylhexa-4,5-dien-3-ol
SMILESC=C=C[C@@](O)(c1ccccc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H9F5O/c1-2-8-10(18,9-6-4-3-5-7-9)11(13,14)12(15,16)17/h3-8,18H,1H2/t10-/m1/s1
InChIKeyZNHJVWKGMIFWOT-SNVBAGLBSA-N
XLogP3.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1,1,1,2,2-pentafluoro-3-phenylhexa-4,5-dien-3-ol?
The IUPAC name of (3R)-1,1,1,2,2-pentafluoro-3-phenylhexa-4,5-dien-3-ol (CID 118988098) is (3R)-1,1,1,2,2-pentafluoro-3-phenylhexa-4,5-dien-3-ol.
What is the SMILES notation for (3R)-1,1,1,2,2-pentafluoro-3-phenylhexa-4,5-dien-3-ol?
The canonical SMILES for (3R)-1,1,1,2,2-pentafluoro-3-phenylhexa-4,5-dien-3-ol is C=C=C[C@@](O)(c1ccccc1)C(F)(F)C(F)(F)F.
What is the InChIKey of (3R)-1,1,1,2,2-pentafluoro-3-phenylhexa-4,5-dien-3-ol?
The InChIKey is ZNHJVWKGMIFWOT-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H9F5O/c1-2-8-10(18,9-6-4-3-5-7-9)11(13,14)12(15,16)17/h3-8,18H,1H2/t10-/m1/s1.
What are the key properties of (3R)-1,1,1,2,2-pentafluoro-3-phenylhexa-4,5-dien-3-ol?
(3R)-1,1,1,2,2-pentafluoro-3-phenylhexa-4,5-dien-3-ol has a molecular weight of 264.19 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,1,1,2,2-pentafluoro-3-phenylhexa-4,5-dien-3-ol is sourced from PubChem (CID 118988098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).