(2,3,4,5,6-pentafluorophenyl)methanol

C7H3F5O — CID 9923

IUPAC(2,3,4,5,6-pentafluorophenyl)methanol
SMILESOCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2
InChIKeyPGJYYCIOYBZTPU-UHFFFAOYSA-N
MW198.09 g/mol
LogP1.87
Rot. Bonds1

About (2,3,4,5,6-pentafluorophenyl)methanol

(2,3,4,5,6-pentafluorophenyl)methanol (PubChem CID 9923) has the molecular formula C7H3F5O and a molecular weight of 198.09 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl)methanol.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenyl)methanol
PubChem CID9923
Molecular FormulaC7H3F5O
Molecular Weight198.09 g/mol
Exact Mass198.01
IUPAC Name(2,3,4,5,6-pentafluorophenyl)methanol
SMILESOCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2
InChIKeyPGJYYCIOYBZTPU-UHFFFAOYSA-N
XLogP1.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.09
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenyl)methanol?
The IUPAC name of (2,3,4,5,6-pentafluorophenyl)methanol (CID 9923) is (2,3,4,5,6-pentafluorophenyl)methanol.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl)methanol?
The canonical SMILES for (2,3,4,5,6-pentafluorophenyl)methanol is OCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (2,3,4,5,6-pentafluorophenyl)methanol?
The InChIKey is PGJYYCIOYBZTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2.
What are the key properties of (2,3,4,5,6-pentafluorophenyl)methanol?
(2,3,4,5,6-pentafluorophenyl)methanol has a molecular weight of 198.09 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenyl)methanol is sourced from PubChem (CID 9923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).