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

C15H9F9O2 — CID 88708140

IUPACdifluoro-(2,3,4-trifluorophenyl)methanol;(2,3,5,6-tetrafluoro-4-methylphenyl)methanol
SMILESCc1c(F)c(F)c(CO)c(F)c1F.OC(F)(F)c1ccc(F)c(F)c1F
InChIInChI=1S/C8H6F4O.C7H3F5O/c1-3-5(9)7(11)4(2-13)8(12)6(3)10;8-4-2-1-3(7(11,12)13)5(9)6(4)10/h13H,2H2,1H3;1-2,13H
InChIKeyFDETZSHEUKKBNM-UHFFFAOYSA-N
MW392.22 g/mol
LogP4.19
Rot. Bonds2

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

difluoro-(2,3,4-trifluorophenyl)methanol;(2,3,5,6-tetrafluoro-4-methylphenyl)methanol (PubChem CID 88708140) has the molecular formula C15H9F9O2 and a molecular weight of 392.22 g/mol. Its IUPAC name is difluoro-(2,3,4-trifluorophenyl)methanol;(2,3,5,6-tetrafluoro-4-methylphenyl)methanol.

Molecular Properties

Compound Namedifluoro-(2,3,4-trifluorophenyl)methanol;(2,3,5,6-tetrafluoro-4-methylphenyl)methanol
PubChem CID88708140
Molecular FormulaC15H9F9O2
Molecular Weight392.22 g/mol
Exact Mass392.05
IUPAC Namedifluoro-(2,3,4-trifluorophenyl)methanol;(2,3,5,6-tetrafluoro-4-methylphenyl)methanol
SMILESCc1c(F)c(F)c(CO)c(F)c1F.OC(F)(F)c1ccc(F)c(F)c1F
InChIInChI=1S/C8H6F4O.C7H3F5O/c1-3-5(9)7(11)4(2-13)8(12)6(3)10;8-4-2-1-3(7(11,12)13)5(9)6(4)10/h13H,2H2,1H3;1-2,13H
InChIKeyFDETZSHEUKKBNM-UHFFFAOYSA-N
XLogP4.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.22
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 difluoro-(2,3,4-trifluorophenyl)methanol;(2,3,5,6-tetrafluoro-4-methylphenyl)methanol?
The IUPAC name of difluoro-(2,3,4-trifluorophenyl)methanol;(2,3,5,6-tetrafluoro-4-methylphenyl)methanol (CID 88708140) is difluoro-(2,3,4-trifluorophenyl)methanol;(2,3,5,6-tetrafluoro-4-methylphenyl)methanol.
What is the SMILES notation for difluoro-(2,3,4-trifluorophenyl)methanol;(2,3,5,6-tetrafluoro-4-methylphenyl)methanol?
The canonical SMILES for difluoro-(2,3,4-trifluorophenyl)methanol;(2,3,5,6-tetrafluoro-4-methylphenyl)methanol is Cc1c(F)c(F)c(CO)c(F)c1F.OC(F)(F)c1ccc(F)c(F)c1F.
What is the InChIKey of difluoro-(2,3,4-trifluorophenyl)methanol;(2,3,5,6-tetrafluoro-4-methylphenyl)methanol?
The InChIKey is FDETZSHEUKKBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4O.C7H3F5O/c1-3-5(9)7(11)4(2-13)8(12)6(3)10;8-4-2-1-3(7(11,12)13)5(9)6(4)10/h13H,2H2,1H3;1-2,13H.
What are the key properties of difluoro-(2,3,4-trifluorophenyl)methanol;(2,3,5,6-tetrafluoro-4-methylphenyl)methanol?
difluoro-(2,3,4-trifluorophenyl)methanol;(2,3,5,6-tetrafluoro-4-methylphenyl)methanol has a molecular weight of 392.22 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-(2,3,4-trifluorophenyl)methanol;(2,3,5,6-tetrafluoro-4-methylphenyl)methanol is sourced from PubChem (CID 88708140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).