4-(5-fluoro-2-propan-2-yloxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide

C16H21F4NO3 — CID 141062159

IUPAC4-(5-fluoro-2-propan-2-yloxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide
SMILESCC(C)Oc1ccc(F)cc1C(C)(C)CC(O)(C(N)=O)C(F)(F)F
InChIInChI=1S/C16H21F4NO3/c1-9(2)24-12-6-5-10(17)7-11(12)14(3,4)8-15(23,13(21)22)16(18,19)20/h5-7,9,23H,8H2,1-4H3,(H2,21,22)
InChIKeyDNXWMKJJHCAQGU-UHFFFAOYSA-N
MW351.34 g/mol
LogP3.06
Rot. Bonds6

About 4-(5-fluoro-2-propan-2-yloxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide

4-(5-fluoro-2-propan-2-yloxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide (PubChem CID 141062159) has the molecular formula C16H21F4NO3 and a molecular weight of 351.34 g/mol. Its IUPAC name is 4-(5-fluoro-2-propan-2-yloxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide.

Molecular Properties

Compound Name4-(5-fluoro-2-propan-2-yloxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide
PubChem CID141062159
Molecular FormulaC16H21F4NO3
Molecular Weight351.34 g/mol
Exact Mass351.15
IUPAC Name4-(5-fluoro-2-propan-2-yloxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide
SMILESCC(C)Oc1ccc(F)cc1C(C)(C)CC(O)(C(N)=O)C(F)(F)F
InChIInChI=1S/C16H21F4NO3/c1-9(2)24-12-6-5-10(17)7-11(12)14(3,4)8-15(23,13(21)22)16(18,19)20/h5-7,9,23H,8H2,1-4H3,(H2,21,22)
InChIKeyDNXWMKJJHCAQGU-UHFFFAOYSA-N
XLogP3.06
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-propan-2-yloxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide?
The IUPAC name of 4-(5-fluoro-2-propan-2-yloxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide (CID 141062159) is 4-(5-fluoro-2-propan-2-yloxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide.
What is the SMILES notation for 4-(5-fluoro-2-propan-2-yloxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide?
The canonical SMILES for 4-(5-fluoro-2-propan-2-yloxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide is CC(C)Oc1ccc(F)cc1C(C)(C)CC(O)(C(N)=O)C(F)(F)F.
What is the InChIKey of 4-(5-fluoro-2-propan-2-yloxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide?
The InChIKey is DNXWMKJJHCAQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F4NO3/c1-9(2)24-12-6-5-10(17)7-11(12)14(3,4)8-15(23,13(21)22)16(18,19)20/h5-7,9,23H,8H2,1-4H3,(H2,21,22).
What are the key properties of 4-(5-fluoro-2-propan-2-yloxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide?
4-(5-fluoro-2-propan-2-yloxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide has a molecular weight of 351.34 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-propan-2-yloxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide is sourced from PubChem (CID 141062159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).