[2,3,5,6-tetrafluoro-4-(3-methylbut-2-enyl)phenyl]methanol

C12H12F4O — CID 12944019

IUPAC[2,3,5,6-tetrafluoro-4-(3-methylbut-2-enyl)phenyl]methanol
SMILESCC(C)=CCc1c(F)c(F)c(CO)c(F)c1F
InChIInChI=1S/C12H12F4O/c1-6(2)3-4-7-9(13)11(15)8(5-17)12(16)10(7)14/h3,17H,4-5H2,1-2H3
InChIKeyBLIAQTSZVPWPHK-UHFFFAOYSA-N
MW248.22 g/mol
LogP3.24
Rot. Bonds3

About [2,3,5,6-tetrafluoro-4-(3-methylbut-2-enyl)phenyl]methanol

[2,3,5,6-tetrafluoro-4-(3-methylbut-2-enyl)phenyl]methanol (PubChem CID 12944019) has the molecular formula C12H12F4O and a molecular weight of 248.22 g/mol. Its IUPAC name is [2,3,5,6-tetrafluoro-4-(3-methylbut-2-enyl)phenyl]methanol.

Molecular Properties

Compound Name[2,3,5,6-tetrafluoro-4-(3-methylbut-2-enyl)phenyl]methanol
PubChem CID12944019
Molecular FormulaC12H12F4O
Molecular Weight248.22 g/mol
Exact Mass248.08
IUPAC Name[2,3,5,6-tetrafluoro-4-(3-methylbut-2-enyl)phenyl]methanol
SMILESCC(C)=CCc1c(F)c(F)c(CO)c(F)c1F
InChIInChI=1S/C12H12F4O/c1-6(2)3-4-7-9(13)11(15)8(5-17)12(16)10(7)14/h3,17H,4-5H2,1-2H3
InChIKeyBLIAQTSZVPWPHK-UHFFFAOYSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 53.24
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 [2,3,5,6-tetrafluoro-4-(3-methylbut-2-enyl)phenyl]methanol?
The IUPAC name of [2,3,5,6-tetrafluoro-4-(3-methylbut-2-enyl)phenyl]methanol (CID 12944019) is [2,3,5,6-tetrafluoro-4-(3-methylbut-2-enyl)phenyl]methanol.
What is the SMILES notation for [2,3,5,6-tetrafluoro-4-(3-methylbut-2-enyl)phenyl]methanol?
The canonical SMILES for [2,3,5,6-tetrafluoro-4-(3-methylbut-2-enyl)phenyl]methanol is CC(C)=CCc1c(F)c(F)c(CO)c(F)c1F.
What is the InChIKey of [2,3,5,6-tetrafluoro-4-(3-methylbut-2-enyl)phenyl]methanol?
The InChIKey is BLIAQTSZVPWPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4O/c1-6(2)3-4-7-9(13)11(15)8(5-17)12(16)10(7)14/h3,17H,4-5H2,1-2H3.
What are the key properties of [2,3,5,6-tetrafluoro-4-(3-methylbut-2-enyl)phenyl]methanol?
[2,3,5,6-tetrafluoro-4-(3-methylbut-2-enyl)phenyl]methanol has a molecular weight of 248.22 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,5,6-tetrafluoro-4-(3-methylbut-2-enyl)phenyl]methanol is sourced from PubChem (CID 12944019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).