[4-[(E)-but-2-enyl]-2,3,5,6-tetrafluorophenyl]methanol

C11H10F4O — CID 12944020

IUPAC[4-[(E)-but-2-enyl]-2,3,5,6-tetrafluorophenyl]methanol
SMILESC/C=C/Cc1c(F)c(F)c(CO)c(F)c1F
InChIInChI=1S/C11H10F4O/c1-2-3-4-6-8(12)10(14)7(5-16)11(15)9(6)13/h2-3,16H,4-5H2,1H3/b3-2+
InChIKeyPGEHCXDBHOOGAF-NSCUHMNNSA-N
MW234.19 g/mol
LogP2.85
Rot. Bonds3

About [4-[(E)-but-2-enyl]-2,3,5,6-tetrafluorophenyl]methanol

[4-[(E)-but-2-enyl]-2,3,5,6-tetrafluorophenyl]methanol (PubChem CID 12944020) has the molecular formula C11H10F4O and a molecular weight of 234.19 g/mol. Its IUPAC name is [4-[(E)-but-2-enyl]-2,3,5,6-tetrafluorophenyl]methanol.

Molecular Properties

Compound Name[4-[(E)-but-2-enyl]-2,3,5,6-tetrafluorophenyl]methanol
PubChem CID12944020
Molecular FormulaC11H10F4O
Molecular Weight234.19 g/mol
Exact Mass234.07
IUPAC Name[4-[(E)-but-2-enyl]-2,3,5,6-tetrafluorophenyl]methanol
SMILESC/C=C/Cc1c(F)c(F)c(CO)c(F)c1F
InChIInChI=1S/C11H10F4O/c1-2-3-4-6-8(12)10(14)7(5-16)11(15)9(6)13/h2-3,16H,4-5H2,1H3/b3-2+
InChIKeyPGEHCXDBHOOGAF-NSCUHMNNSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(E)-but-2-enyl]-2,3,5,6-tetrafluorophenyl]methanol?
The IUPAC name of [4-[(E)-but-2-enyl]-2,3,5,6-tetrafluorophenyl]methanol (CID 12944020) is [4-[(E)-but-2-enyl]-2,3,5,6-tetrafluorophenyl]methanol.
What is the SMILES notation for [4-[(E)-but-2-enyl]-2,3,5,6-tetrafluorophenyl]methanol?
The canonical SMILES for [4-[(E)-but-2-enyl]-2,3,5,6-tetrafluorophenyl]methanol is C/C=C/Cc1c(F)c(F)c(CO)c(F)c1F.
What is the InChIKey of [4-[(E)-but-2-enyl]-2,3,5,6-tetrafluorophenyl]methanol?
The InChIKey is PGEHCXDBHOOGAF-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H10F4O/c1-2-3-4-6-8(12)10(14)7(5-16)11(15)9(6)13/h2-3,16H,4-5H2,1H3/b3-2+.
What are the key properties of [4-[(E)-but-2-enyl]-2,3,5,6-tetrafluorophenyl]methanol?
[4-[(E)-but-2-enyl]-2,3,5,6-tetrafluorophenyl]methanol has a molecular weight of 234.19 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-but-2-enyl]-2,3,5,6-tetrafluorophenyl]methanol is sourced from PubChem (CID 12944020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).