5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenol

C14H8F6O — CID 118806468

IUPAC5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenol
SMILESOc1cc(C(F)(F)F)ccc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H8F6O/c15-13(16,17)8-5-6-10(12(21)7-8)9-3-1-2-4-11(9)14(18,19)20/h1-7,21H
InChIKeyYYLDWSXWKSPNAK-UHFFFAOYSA-N
MW306.21 g/mol
LogP5.10
Rot. Bonds1

About 5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenol

5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenol (PubChem CID 118806468) has the molecular formula C14H8F6O and a molecular weight of 306.21 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenol.

Molecular Properties

Compound Name5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenol
PubChem CID118806468
Molecular FormulaC14H8F6O
Molecular Weight306.21 g/mol
Exact Mass306.05
IUPAC Name5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenol
SMILESOc1cc(C(F)(F)F)ccc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H8F6O/c15-13(16,17)8-5-6-10(12(21)7-8)9-3-1-2-4-11(9)14(18,19)20/h1-7,21H
InChIKeyYYLDWSXWKSPNAK-UHFFFAOYSA-N
XLogP5.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.21
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 134617711
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2-(chloromethyl)-4-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 134627746
4,5-difluoro-2-[2-(trifluoromethyl)phenyl]phenol
CID 118823457
5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133092047
2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 118823023
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
2-sulfanyl-5-(trifluoromethyl)phenol
CID 130035062
2-[2,5-bis(trifluoromethyl)anilino]phenol
CID 155290288
2-(trifluoromethyl)phenol
CID 162212145
4-iodo-2-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 119019022
2-[4-(trifluoromethyl)phenyl]phenol
CID 11230142

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenol?
The IUPAC name of 5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenol (CID 118806468) is 5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenol.
What is the SMILES notation for 5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenol?
The canonical SMILES for 5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenol is Oc1cc(C(F)(F)F)ccc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenol?
The InChIKey is YYLDWSXWKSPNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6O/c15-13(16,17)8-5-6-10(12(21)7-8)9-3-1-2-4-11(9)14(18,19)20/h1-7,21H.
What are the key properties of 5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenol?
5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenol has a molecular weight of 306.21 g/mol, XLogP of 5.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenol is sourced from PubChem (CID 118806468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).