(2,3,5,6-tetrafluoro-4-methylphenyl)methanol

C8H6F4O — CID 2734209

IUPAC(2,3,5,6-tetrafluoro-4-methylphenyl)methanol
SMILESCc1c(F)c(F)c(CO)c(F)c1F
InChIInChI=1S/C8H6F4O/c1-3-5(9)7(11)4(2-13)8(12)6(3)10/h13H,2H2,1H3
InChIKeyPJCSTULKVNHEGW-UHFFFAOYSA-N
MW194.13 g/mol
LogP2.04
Rot. Bonds1

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

(2,3,5,6-tetrafluoro-4-methylphenyl)methanol (PubChem CID 2734209) has the molecular formula C8H6F4O and a molecular weight of 194.13 g/mol. Its IUPAC name is (2,3,5,6-tetrafluoro-4-methylphenyl)methanol.

Molecular Properties

Compound Name(2,3,5,6-tetrafluoro-4-methylphenyl)methanol
PubChem CID2734209
Molecular FormulaC8H6F4O
Molecular Weight194.13 g/mol
Exact Mass194.04
IUPAC Name(2,3,5,6-tetrafluoro-4-methylphenyl)methanol
SMILESCc1c(F)c(F)c(CO)c(F)c1F
InChIInChI=1S/C8H6F4O/c1-3-5(9)7(11)4(2-13)8(12)6(3)10/h13H,2H2,1H3
InChIKeyPJCSTULKVNHEGW-UHFFFAOYSA-N
XLogP2.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.13
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,3,5,6-tetrafluoro-4-methylphenyl)methanol?
The IUPAC name of (2,3,5,6-tetrafluoro-4-methylphenyl)methanol (CID 2734209) is (2,3,5,6-tetrafluoro-4-methylphenyl)methanol.
What is the SMILES notation for (2,3,5,6-tetrafluoro-4-methylphenyl)methanol?
The canonical SMILES for (2,3,5,6-tetrafluoro-4-methylphenyl)methanol is Cc1c(F)c(F)c(CO)c(F)c1F.
What is the InChIKey of (2,3,5,6-tetrafluoro-4-methylphenyl)methanol?
The InChIKey is PJCSTULKVNHEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4O/c1-3-5(9)7(11)4(2-13)8(12)6(3)10/h13H,2H2,1H3.
What are the key properties of (2,3,5,6-tetrafluoro-4-methylphenyl)methanol?
(2,3,5,6-tetrafluoro-4-methylphenyl)methanol has a molecular weight of 194.13 g/mol, XLogP of 2.04, 1 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-methylphenyl)methanol is sourced from PubChem (CID 2734209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).