2,2,2-trifluoro-N-[2-hydroxy-3-(oxan-2-yloxy)-1-phenylpropyl]acetamide

C16H20F3NO4 — CID 121416219

IUPAC2,2,2-trifluoro-N-[2-hydroxy-3-(oxan-2-yloxy)-1-phenylpropyl]acetamide
SMILESO=C(NC(c1ccccc1)C(O)COC1CCCCO1)C(F)(F)F
InChIInChI=1S/C16H20F3NO4/c17-16(18,19)15(22)20-14(11-6-2-1-3-7-11)12(21)10-24-13-8-4-5-9-23-13/h1-3,6-7,12-14,21H,4-5,8-10H2,(H,20,22)
InChIKeyKCPAYYMPVMFVCB-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.31
Rot. Bonds6

About 2,2,2-trifluoro-N-[2-hydroxy-3-(oxan-2-yloxy)-1-phenylpropyl]acetamide

2,2,2-trifluoro-N-[2-hydroxy-3-(oxan-2-yloxy)-1-phenylpropyl]acetamide (PubChem CID 121416219) has the molecular formula C16H20F3NO4 and a molecular weight of 347.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-hydroxy-3-(oxan-2-yloxy)-1-phenylpropyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-hydroxy-3-(oxan-2-yloxy)-1-phenylpropyl]acetamide
PubChem CID121416219
Molecular FormulaC16H20F3NO4
Molecular Weight347.33 g/mol
Exact Mass347.13
IUPAC Name2,2,2-trifluoro-N-[2-hydroxy-3-(oxan-2-yloxy)-1-phenylpropyl]acetamide
SMILESO=C(NC(c1ccccc1)C(O)COC1CCCCO1)C(F)(F)F
InChIInChI=1S/C16H20F3NO4/c17-16(18,19)15(22)20-14(11-6-2-1-3-7-11)12(21)10-24-13-8-4-5-9-23-13/h1-3,6-7,12-14,21H,4-5,8-10H2,(H,20,22)
InChIKeyKCPAYYMPVMFVCB-UHFFFAOYSA-N
XLogP2.31
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-hydroxy-3-(oxan-2-yloxy)-1-phenylpropyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-hydroxy-3-(oxan-2-yloxy)-1-phenylpropyl]acetamide (CID 121416219) is 2,2,2-trifluoro-N-[2-hydroxy-3-(oxan-2-yloxy)-1-phenylpropyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-hydroxy-3-(oxan-2-yloxy)-1-phenylpropyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-hydroxy-3-(oxan-2-yloxy)-1-phenylpropyl]acetamide is O=C(NC(c1ccccc1)C(O)COC1CCCCO1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-hydroxy-3-(oxan-2-yloxy)-1-phenylpropyl]acetamide?
The InChIKey is KCPAYYMPVMFVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO4/c17-16(18,19)15(22)20-14(11-6-2-1-3-7-11)12(21)10-24-13-8-4-5-9-23-13/h1-3,6-7,12-14,21H,4-5,8-10H2,(H,20,22).
What are the key properties of 2,2,2-trifluoro-N-[2-hydroxy-3-(oxan-2-yloxy)-1-phenylpropyl]acetamide?
2,2,2-trifluoro-N-[2-hydroxy-3-(oxan-2-yloxy)-1-phenylpropyl]acetamide has a molecular weight of 347.33 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-hydroxy-3-(oxan-2-yloxy)-1-phenylpropyl]acetamide is sourced from PubChem (CID 121416219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).