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

C13H5Cl2F5O — CID 45103212

IUPAC(2,6-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanol
SMILESOC(c1c(Cl)cccc1Cl)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H5Cl2F5O/c14-4-2-1-3-5(15)6(4)13(21)7-8(16)10(18)12(20)11(19)9(7)17/h1-3,13,21H
InChIKeyFRHWRZXXPFMOCK-UHFFFAOYSA-N
MW343.08 g/mol
LogP4.77
Rot. Bonds2

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

(2,6-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanol (PubChem CID 45103212) has the molecular formula C13H5Cl2F5O and a molecular weight of 343.08 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanol.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanol
PubChem CID45103212
Molecular FormulaC13H5Cl2F5O
Molecular Weight343.08 g/mol
Exact Mass341.96
IUPAC Name(2,6-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanol
SMILESOC(c1c(Cl)cccc1Cl)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H5Cl2F5O/c14-4-2-1-3-5(15)6(4)13(21)7-8(16)10(18)12(20)11(19)9(7)17/h1-3,13,21H
InChIKeyFRHWRZXXPFMOCK-UHFFFAOYSA-N
XLogP4.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.08
LogP ≤ 54.77
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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Related Compounds

(2,6-dichlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879443
(2,6-dichlorophenyl)-(3-fluoro-5-methylphenyl)methanol
CID 79690334
(2-chloro-6-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879542
(3-chlorophenyl)-(2,6-dichlorophenyl)methanol
CID 63894270
(2,5-dibromophenyl)-(2,6-dichlorophenyl)methanol
CID 63425825
(S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol
CID 129410443
(1R)-1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethanol
CID 130512088
(5-bromo-2-fluorophenyl)-(2-chloro-6-fluorophenyl)methanol
CID 79743340
(2-chloro-6-fluorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61099448
(2-chloro-6-fluorophenyl)-(3-fluorophenyl)methanol
CID 63896004
(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methanol
CID 61271392
cyclohepten-1-yl-(2,6-dichlorophenyl)methanol
CID 63427509

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanol?
The IUPAC name of (2,6-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanol (CID 45103212) is (2,6-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanol.
What is the SMILES notation for (2,6-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanol?
The canonical SMILES for (2,6-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanol is OC(c1c(Cl)cccc1Cl)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (2,6-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanol?
The InChIKey is FRHWRZXXPFMOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl2F5O/c14-4-2-1-3-5(15)6(4)13(21)7-8(16)10(18)12(20)11(19)9(7)17/h1-3,13,21H.
What are the key properties of (2,6-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanol?
(2,6-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanol has a molecular weight of 343.08 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanol is sourced from PubChem (CID 45103212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).