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

C19H11F5O — CID 4191296

IUPAC(2,3,4,5,6-pentafluorophenyl)-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C19H11F5O/c20-14-13(15(21)17(23)18(24)16(14)22)19(25,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,25H
InChIKeyIDCFPZDXGPMARA-UHFFFAOYSA-N
MW350.29 g/mol
LogP4.67
Rot. Bonds3

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

(2,3,4,5,6-pentafluorophenyl)-diphenylmethanol (PubChem CID 4191296) has the molecular formula C19H11F5O and a molecular weight of 350.29 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl)-diphenylmethanol.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenyl)-diphenylmethanol
PubChem CID4191296
Molecular FormulaC19H11F5O
Molecular Weight350.29 g/mol
Exact Mass350.07
IUPAC Name(2,3,4,5,6-pentafluorophenyl)-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C19H11F5O/c20-14-13(15(21)17(23)18(24)16(14)22)19(25,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,25H
InChIKeyIDCFPZDXGPMARA-UHFFFAOYSA-N
XLogP4.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 54.67
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-Phenyl-2-propanol
CID 12053
Triphenylcarbinol
CID 6457
1-Phenylcyclohexanol
CID 15319
Benzopinacol
CID 94766
1,1-Diphenylethanol
CID 69031
1,1,2-Triphenylethanol
CID 245013
alpha-Ethyl-alpha-phenyl-3-(trifluoromethyl)benzenemethanol
CID 41870
1,4-Butanediol, 1,1,4,4-tetraphenyl-
CID 44541
4,4',4''-Trimethyltrityl alcohol
CID 76733
alpha,alpha-Bis(trifluoromethyl)benzyl alcohol
CID 69748
2-Phenylbutan-2-ol
CID 15283
alpha-Phenyl[1,1'-biphenyl]-4-methanol
CID 95512

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenyl)-diphenylmethanol?
The IUPAC name of (2,3,4,5,6-pentafluorophenyl)-diphenylmethanol (CID 4191296) is (2,3,4,5,6-pentafluorophenyl)-diphenylmethanol.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl)-diphenylmethanol?
The canonical SMILES for (2,3,4,5,6-pentafluorophenyl)-diphenylmethanol is OC(c1ccccc1)(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (2,3,4,5,6-pentafluorophenyl)-diphenylmethanol?
The InChIKey is IDCFPZDXGPMARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F5O/c20-14-13(15(21)17(23)18(24)16(14)22)19(25,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,25H.
What are the key properties of (2,3,4,5,6-pentafluorophenyl)-diphenylmethanol?
(2,3,4,5,6-pentafluorophenyl)-diphenylmethanol has a molecular weight of 350.29 g/mol, XLogP of 4.67, 3 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)-diphenylmethanol is sourced from PubChem (CID 4191296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).