[4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol

C14H9F5O2 — CID 61087299

IUPAC[4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol
SMILESOC(c1ccc(OC(F)F)cc1)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H9F5O2/c15-8-5-10(16)12(11(17)6-8)13(20)7-1-3-9(4-2-7)21-14(18)19/h1-6,13-14,20H
InChIKeyZEKMAKFMXLHLLU-UHFFFAOYSA-N
MW304.21 g/mol
LogP3.79
Rot. Bonds4

About [4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol

[4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol (PubChem CID 61087299) has the molecular formula C14H9F5O2 and a molecular weight of 304.21 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol
PubChem CID61087299
Molecular FormulaC14H9F5O2
Molecular Weight304.21 g/mol
Exact Mass304.05
IUPAC Name[4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol
SMILESOC(c1ccc(OC(F)F)cc1)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H9F5O2/c15-8-5-10(16)12(11(17)6-8)13(20)7-1-3-9(4-2-7)21-14(18)19/h1-6,13-14,20H
InChIKeyZEKMAKFMXLHLLU-UHFFFAOYSA-N
XLogP3.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-tert-butylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 61089369
[4-(difluoromethoxy)phenyl]-(2,4-difluoro-5-methylphenyl)methanol
CID 79725993
[4-(2-methylpropyl)phenyl]-(2,4,6-trifluorophenyl)methanol
CID 65100834
(4-propylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 65100284
(R)-amino-[4-(difluoromethoxy)phenyl]methanol
CID 131969253
1-[4-(difluoromethoxy)phenyl]-2-(2,5-difluorophenyl)ethanol
CID 63893268
(2,4-dimethoxyphenyl)-(2,4,6-trifluorophenyl)methanol
CID 61089367
[4-(difluoromethoxy)phenyl]-(2,4-dimethylphenyl)methanol
CID 61100942
[4-(difluoromethoxy)phenyl]-(4-methoxy-2-methylphenyl)methanol
CID 61101461
(4-chloro-3-methoxyphenyl)-[4-(difluoromethoxy)phenyl]methanol
CID 79699607
1-[4-(difluoromethoxy)phenyl]-2-(2,4-difluorophenyl)sulfanylethanone
CID 55393499
1-[4-(difluoromethoxy)phenyl]-2-[(2,5-difluorophenyl)methylamino]ethanol
CID 111424611

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol?
The IUPAC name of [4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol (CID 61087299) is [4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol.
What is the SMILES notation for [4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol?
The canonical SMILES for [4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol is OC(c1ccc(OC(F)F)cc1)c1c(F)cc(F)cc1F.
What is the InChIKey of [4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol?
The InChIKey is ZEKMAKFMXLHLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F5O2/c15-8-5-10(16)12(11(17)6-8)13(20)7-1-3-9(4-2-7)21-14(18)19/h1-6,13-14,20H.
What are the key properties of [4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol?
[4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol has a molecular weight of 304.21 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol is sourced from PubChem (CID 61087299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).