2-benzyl-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol

C20H22F4O2 — CID 10237223

IUPAC2-benzyl-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C20H22F4O2/c1-18(2,16-11-15(21)9-10-17(16)26-3)13-19(25,20(22,23)24)12-14-7-5-4-6-8-14/h4-11,25H,12-13H2,1-3H3
InChIKeyGODVLDDDFMZIIA-UHFFFAOYSA-N
MW370.39 g/mol
LogP5.04
Rot. Bonds6

About 2-benzyl-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol

2-benzyl-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol (PubChem CID 10237223) has the molecular formula C20H22F4O2 and a molecular weight of 370.39 g/mol. Its IUPAC name is 2-benzyl-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol.

Molecular Properties

Compound Name2-benzyl-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
PubChem CID10237223
Molecular FormulaC20H22F4O2
Molecular Weight370.39 g/mol
Exact Mass370.16
IUPAC Name2-benzyl-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C20H22F4O2/c1-18(2,16-11-15(21)9-10-17(16)26-3)13-19(25,20(22,23)24)12-14-7-5-4-6-8-14/h4-11,25H,12-13H2,1-3H3
InChIKeyGODVLDDDFMZIIA-UHFFFAOYSA-N
XLogP5.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.39
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol?
The IUPAC name of 2-benzyl-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol (CID 10237223) is 2-benzyl-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol.
What is the SMILES notation for 2-benzyl-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol?
The canonical SMILES for 2-benzyl-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol is COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1)C(F)(F)F.
What is the InChIKey of 2-benzyl-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol?
The InChIKey is GODVLDDDFMZIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F4O2/c1-18(2,16-11-15(21)9-10-17(16)26-3)13-19(25,20(22,23)24)12-14-7-5-4-6-8-14/h4-11,25H,12-13H2,1-3H3.
What are the key properties of 2-benzyl-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol?
2-benzyl-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol has a molecular weight of 370.39 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol is sourced from PubChem (CID 10237223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).