4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-(pyridin-2-ylmethyl)pentan-2-ol

C20H23F4NO — CID 71146381

IUPAC4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-(pyridin-2-ylmethyl)pentan-2-ol
SMILESCCc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccn1)C(F)(F)F
InChIInChI=1S/C20H23F4NO/c1-4-14-8-9-15(21)11-17(14)18(2,3)13-19(26,20(22,23)24)12-16-7-5-6-10-25-16/h5-11,26H,4,12-13H2,1-3H3
InChIKeyBXWRGYCZVQVWDQ-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.99
Rot. Bonds6

About 4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-(pyridin-2-ylmethyl)pentan-2-ol

4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-(pyridin-2-ylmethyl)pentan-2-ol (PubChem CID 71146381) has the molecular formula C20H23F4NO and a molecular weight of 369.40 g/mol. Its IUPAC name is 4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-(pyridin-2-ylmethyl)pentan-2-ol.

Molecular Properties

Compound Name4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-(pyridin-2-ylmethyl)pentan-2-ol
PubChem CID71146381
Molecular FormulaC20H23F4NO
Molecular Weight369.40 g/mol
Exact Mass369.17
IUPAC Name4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-(pyridin-2-ylmethyl)pentan-2-ol
SMILESCCc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccn1)C(F)(F)F
InChIInChI=1S/C20H23F4NO/c1-4-14-8-9-15(21)11-17(14)18(2,3)13-19(26,20(22,23)24)12-16-7-5-6-10-25-16/h5-11,26H,4,12-13H2,1-3H3
InChIKeyBXWRGYCZVQVWDQ-UHFFFAOYSA-N
XLogP4.99
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-(pyridin-2-ylmethyl)pentan-2-ol
CID 71146377
4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-2-[(7-fluoroquinolin-4-yl)methyl]-4-methylpentan-2-ol
CID 71146383
4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol
CID 89311699
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-2-[(6-fluoro-2-pyridinyl)methyl]-4-methylpentan-2-ol
CID 10309505
2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol
CID 58959924
5-fluoro-2-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-(quinolin-4-ylmethyl)pentan-2-yl]phenol
CID 22398563
2-[4-[(3-chloroquinolin-4-yl)methyl]-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl]-4-fluorophenol
CID 10173613
1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-2-[(isoquinolin-1-ylamino)methyl]-4-methylpentan-2-ol
CID 142776821
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(pyridin-3-ylmethyl)pentan-2-ol
CID 10150368
1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-(5H-pyrrolo[2,3-b]pyrazin-6-ylmethyl)pentan-2-ol
CID 11269445
5-fluoro-2-(pyridin-2-ylmethyl)phenol
CID 83129937
(3R)-5-(5-fluoro-2-methylphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoic acid
CID 58509551

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-(pyridin-2-ylmethyl)pentan-2-ol?
The IUPAC name of 4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-(pyridin-2-ylmethyl)pentan-2-ol (CID 71146381) is 4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-(pyridin-2-ylmethyl)pentan-2-ol.
What is the SMILES notation for 4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-(pyridin-2-ylmethyl)pentan-2-ol?
The canonical SMILES for 4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-(pyridin-2-ylmethyl)pentan-2-ol is CCc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccn1)C(F)(F)F.
What is the InChIKey of 4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-(pyridin-2-ylmethyl)pentan-2-ol?
The InChIKey is BXWRGYCZVQVWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F4NO/c1-4-14-8-9-15(21)11-17(14)18(2,3)13-19(26,20(22,23)24)12-16-7-5-6-10-25-16/h5-11,26H,4,12-13H2,1-3H3.
What are the key properties of 4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-(pyridin-2-ylmethyl)pentan-2-ol?
4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-(pyridin-2-ylmethyl)pentan-2-ol has a molecular weight of 369.40 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-(pyridin-2-ylmethyl)pentan-2-ol is sourced from PubChem (CID 71146381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).