[3-(trifluoromethoxy)phenoxy]-[3-(trifluoromethyl)phenyl]methanol

C15H10F6O3 — CID 173224458

IUPAC[3-(trifluoromethoxy)phenoxy]-[3-(trifluoromethyl)phenyl]methanol
SMILESOC(Oc1cccc(OC(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10F6O3/c16-14(17,18)10-4-1-3-9(7-10)13(22)23-11-5-2-6-12(8-11)24-15(19,20)21/h1-8,13,22H
InChIKeyCJFYADDQPBANLS-UHFFFAOYSA-N
MW352.23 g/mol
LogP4.67
Rot. Bonds4

About [3-(trifluoromethoxy)phenoxy]-[3-(trifluoromethyl)phenyl]methanol

[3-(trifluoromethoxy)phenoxy]-[3-(trifluoromethyl)phenyl]methanol (PubChem CID 173224458) has the molecular formula C15H10F6O3 and a molecular weight of 352.23 g/mol. Its IUPAC name is [3-(trifluoromethoxy)phenoxy]-[3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[3-(trifluoromethoxy)phenoxy]-[3-(trifluoromethyl)phenyl]methanol
PubChem CID173224458
Molecular FormulaC15H10F6O3
Molecular Weight352.23 g/mol
Exact Mass352.05
IUPAC Name[3-(trifluoromethoxy)phenoxy]-[3-(trifluoromethyl)phenyl]methanol
SMILESOC(Oc1cccc(OC(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10F6O3/c16-14(17,18)10-4-1-3-9(7-10)13(22)23-11-5-2-6-12(8-11)24-15(19,20)21/h1-8,13,22H
InChIKeyCJFYADDQPBANLS-UHFFFAOYSA-N
XLogP4.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 13405100
(2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 96874577
2-methyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-ol
CID 107104976
2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 162511327
2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 62396852
3-chloro-1-[3-(trifluoromethoxy)phenyl]propane-1,2-diol
CID 171862621
2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 3712977
1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092
2,2-difluoro-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 62916357
2-(2-bromophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 62918413
methyl 2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-3-methylbutanoate
CID 107105204
(2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 175718270

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethoxy)phenoxy]-[3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [3-(trifluoromethoxy)phenoxy]-[3-(trifluoromethyl)phenyl]methanol (CID 173224458) is [3-(trifluoromethoxy)phenoxy]-[3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [3-(trifluoromethoxy)phenoxy]-[3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [3-(trifluoromethoxy)phenoxy]-[3-(trifluoromethyl)phenyl]methanol is OC(Oc1cccc(OC(F)(F)F)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [3-(trifluoromethoxy)phenoxy]-[3-(trifluoromethyl)phenyl]methanol?
The InChIKey is CJFYADDQPBANLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6O3/c16-14(17,18)10-4-1-3-9(7-10)13(22)23-11-5-2-6-12(8-11)24-15(19,20)21/h1-8,13,22H.
What are the key properties of [3-(trifluoromethoxy)phenoxy]-[3-(trifluoromethyl)phenyl]methanol?
[3-(trifluoromethoxy)phenoxy]-[3-(trifluoromethyl)phenyl]methanol has a molecular weight of 352.23 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethoxy)phenoxy]-[3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 173224458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).