2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol

C19H20F4O2 — CID 58959924

IUPAC2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol
SMILESCC(C)(CC(O)(Cc1ccccc1)C(F)(F)F)c1cc(F)ccc1O
InChIInChI=1S/C19H20F4O2/c1-17(2,15-10-14(20)8-9-16(15)24)12-18(25,19(21,22)23)11-13-6-4-3-5-7-13/h3-10,24-25H,11-12H2,1-2H3
InChIKeyFNXPSGCVWWTIFH-UHFFFAOYSA-N
MW356.36 g/mol
LogP4.74
Rot. Bonds5

About 2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol

2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol (PubChem CID 58959924) has the molecular formula C19H20F4O2 and a molecular weight of 356.36 g/mol. Its IUPAC name is 2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol.

Molecular Properties

Compound Name2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol
PubChem CID58959924
Molecular FormulaC19H20F4O2
Molecular Weight356.36 g/mol
Exact Mass356.14
IUPAC Name2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol
SMILESCC(C)(CC(O)(Cc1ccccc1)C(F)(F)F)c1cc(F)ccc1O
InChIInChI=1S/C19H20F4O2/c1-17(2,15-10-14(20)8-9-16(15)24)12-18(25,19(21,22)23)11-13-6-4-3-5-7-13/h3-10,24-25H,11-12H2,1-2H3
InChIKeyFNXPSGCVWWTIFH-UHFFFAOYSA-N
XLogP4.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-[5,5,5-trifluoro-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-methylpentan-2-yl]phenol
CID 58959967
4-[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-2,6-dimethylbenzonitrile
CID 58960010
2-benzyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide
CID 10287636
2-[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-4,6-dimethylbenzonitrile
CID 58960031
2-[4-[(3-chloroquinolin-4-yl)methyl]-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl]-4-fluorophenol
CID 10173613
2-benzyl-N-(3,5-dimethylphenyl)-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanamide
CID 10216725
1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-(pyridin-2-ylmethyl)pentan-2-ol
CID 71146377
4-fluoro-2-[(4R)-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pentan-2-yl]phenol
CID 46937290
N-[3,5-bis(trifluoromethyl)phenyl]-5-(5-fluoro-2-hydroxyphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanamide
CID 87313305
5-fluoro-2-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-(quinolin-4-ylmethyl)pentan-2-yl]phenol
CID 22398563
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(pyridin-3-ylmethyl)pentan-2-ol
CID 10150368
2-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]isoquinolin-1-one
CID 159466019

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol?
The IUPAC name of 2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol (CID 58959924) is 2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol.
What is the SMILES notation for 2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol?
The canonical SMILES for 2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol is CC(C)(CC(O)(Cc1ccccc1)C(F)(F)F)c1cc(F)ccc1O.
What is the InChIKey of 2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol?
The InChIKey is FNXPSGCVWWTIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4O2/c1-17(2,15-10-14(20)8-9-16(15)24)12-18(25,19(21,22)23)11-13-6-4-3-5-7-13/h3-10,24-25H,11-12H2,1-2H3.
What are the key properties of 2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol?
2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol has a molecular weight of 356.36 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol is sourced from PubChem (CID 58959924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).