2-[4-(3-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenol

C24H15F4NO — CID 174768204

IUPAC2-[4-(3-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenol
SMILESOc1ccccc1-c1ccc(-c2cccc(F)c2)cc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C24H15F4NO/c25-18-5-3-4-15(12-18)16-8-10-19(20-6-1-2-7-22(20)30)21(13-16)17-9-11-23(29-14-17)24(26,27)28/h1-14,30H
InChIKeyCBTSKYOLJVIBQY-UHFFFAOYSA-N
MW409.38 g/mol
LogP6.95
Rot. Bonds3

About 2-[4-(3-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenol

2-[4-(3-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenol (PubChem CID 174768204) has the molecular formula C24H15F4NO and a molecular weight of 409.38 g/mol. Its IUPAC name is 2-[4-(3-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenol.

Molecular Properties

Compound Name2-[4-(3-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenol
PubChem CID174768204
Molecular FormulaC24H15F4NO
Molecular Weight409.38 g/mol
Exact Mass409.11
IUPAC Name2-[4-(3-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenol
SMILESOc1ccccc1-c1ccc(-c2cccc(F)c2)cc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C24H15F4NO/c25-18-5-3-4-15(12-18)16-8-10-19(20-6-1-2-7-22(20)30)21(13-16)17-9-11-23(29-14-17)24(26,27)28/h1-14,30H
InChIKeyCBTSKYOLJVIBQY-UHFFFAOYSA-N
XLogP6.95
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.38
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenol?
The IUPAC name of 2-[4-(3-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenol (CID 174768204) is 2-[4-(3-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenol.
What is the SMILES notation for 2-[4-(3-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenol?
The canonical SMILES for 2-[4-(3-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenol is Oc1ccccc1-c1ccc(-c2cccc(F)c2)cc1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-[4-(3-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenol?
The InChIKey is CBTSKYOLJVIBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F4NO/c25-18-5-3-4-15(12-18)16-8-10-19(20-6-1-2-7-22(20)30)21(13-16)17-9-11-23(29-14-17)24(26,27)28/h1-14,30H.
What are the key properties of 2-[4-(3-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenol?
2-[4-(3-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenol has a molecular weight of 409.38 g/mol, XLogP of 6.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenol is sourced from PubChem (CID 174768204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).