(2,3,5,6-tetrafluoro-4-prop-2-enylphenyl)methanol

C10H8F4O — CID 12944013

IUPAC(2,3,5,6-tetrafluoro-4-prop-2-enylphenyl)methanol
SMILESC=CCc1c(F)c(F)c(CO)c(F)c1F
InChIInChI=1S/C10H8F4O/c1-2-3-5-7(11)9(13)6(4-15)10(14)8(5)12/h2,15H,1,3-4H2
InChIKeyWVOWUXMUMXPKPI-UHFFFAOYSA-N
MW220.16 g/mol
LogP2.46
Rot. Bonds3

About (2,3,5,6-tetrafluoro-4-prop-2-enylphenyl)methanol

(2,3,5,6-tetrafluoro-4-prop-2-enylphenyl)methanol (PubChem CID 12944013) has the molecular formula C10H8F4O and a molecular weight of 220.16 g/mol. Its IUPAC name is (2,3,5,6-tetrafluoro-4-prop-2-enylphenyl)methanol.

Molecular Properties

Compound Name(2,3,5,6-tetrafluoro-4-prop-2-enylphenyl)methanol
PubChem CID12944013
Molecular FormulaC10H8F4O
Molecular Weight220.16 g/mol
Exact Mass220.05
IUPAC Name(2,3,5,6-tetrafluoro-4-prop-2-enylphenyl)methanol
SMILESC=CCc1c(F)c(F)c(CO)c(F)c1F
InChIInChI=1S/C10H8F4O/c1-2-3-5-7(11)9(13)6(4-15)10(14)8(5)12/h2,15H,1,3-4H2
InChIKeyWVOWUXMUMXPKPI-UHFFFAOYSA-N
XLogP2.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 52.46
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-prop-2-enylphenyl)methanol?
The IUPAC name of (2,3,5,6-tetrafluoro-4-prop-2-enylphenyl)methanol (CID 12944013) is (2,3,5,6-tetrafluoro-4-prop-2-enylphenyl)methanol.
What is the SMILES notation for (2,3,5,6-tetrafluoro-4-prop-2-enylphenyl)methanol?
The canonical SMILES for (2,3,5,6-tetrafluoro-4-prop-2-enylphenyl)methanol is C=CCc1c(F)c(F)c(CO)c(F)c1F.
What is the InChIKey of (2,3,5,6-tetrafluoro-4-prop-2-enylphenyl)methanol?
The InChIKey is WVOWUXMUMXPKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O/c1-2-3-5-7(11)9(13)6(4-15)10(14)8(5)12/h2,15H,1,3-4H2.
What are the key properties of (2,3,5,6-tetrafluoro-4-prop-2-enylphenyl)methanol?
(2,3,5,6-tetrafluoro-4-prop-2-enylphenyl)methanol has a molecular weight of 220.16 g/mol, XLogP of 2.46, 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-prop-2-enylphenyl)methanol is sourced from PubChem (CID 12944013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).