2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxolan-4-yl]butyl]acetamide

C15H18F3NO4 — CID 129036762

IUPAC2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxolan-4-yl]butyl]acetamide
SMILESO=C(NCCCCC1COC(c2ccc(O)cc2)O1)C(F)(F)F
InChIInChI=1S/C15H18F3NO4/c16-15(17,18)14(21)19-8-2-1-3-12-9-22-13(23-12)10-4-6-11(20)7-5-10/h4-7,12-13,20H,1-3,8-9H2,(H,19,21)
InChIKeyQRSWKYFSZYUWPB-UHFFFAOYSA-N
MW333.31 g/mol
LogP2.65
Rot. Bonds6

About 2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxolan-4-yl]butyl]acetamide

2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxolan-4-yl]butyl]acetamide (PubChem CID 129036762) has the molecular formula C15H18F3NO4 and a molecular weight of 333.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxolan-4-yl]butyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxolan-4-yl]butyl]acetamide
PubChem CID129036762
Molecular FormulaC15H18F3NO4
Molecular Weight333.31 g/mol
Exact Mass333.12
IUPAC Name2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxolan-4-yl]butyl]acetamide
SMILESO=C(NCCCCC1COC(c2ccc(O)cc2)O1)C(F)(F)F
InChIInChI=1S/C15H18F3NO4/c16-15(17,18)14(21)19-8-2-1-3-12-9-22-13(23-12)10-4-6-11(20)7-5-10/h4-7,12-13,20H,1-3,8-9H2,(H,19,21)
InChIKeyQRSWKYFSZYUWPB-UHFFFAOYSA-N
XLogP2.65
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxolan-4-yl]butyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxolan-4-yl]butyl]acetamide (CID 129036762) is 2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxolan-4-yl]butyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxolan-4-yl]butyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxolan-4-yl]butyl]acetamide is O=C(NCCCCC1COC(c2ccc(O)cc2)O1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxolan-4-yl]butyl]acetamide?
The InChIKey is QRSWKYFSZYUWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO4/c16-15(17,18)14(21)19-8-2-1-3-12-9-22-13(23-12)10-4-6-11(20)7-5-10/h4-7,12-13,20H,1-3,8-9H2,(H,19,21).
What are the key properties of 2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxolan-4-yl]butyl]acetamide?
2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxolan-4-yl]butyl]acetamide has a molecular weight of 333.31 g/mol, XLogP of 2.65, 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-[4-[2-(4-hydroxyphenyl)-1,3-dioxolan-4-yl]butyl]acetamide is sourced from PubChem (CID 129036762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).