2,2,2-trifluoro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide

C14H12F3NO4 — CID 28666240

IUPAC2,2,2-trifluoro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(-c2ccc(CO)o2)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C14H12F3NO4/c1-21-12-4-2-8(11-5-3-9(7-19)22-11)6-10(12)18-13(20)14(15,16)17/h2-6,19H,7H2,1H3,(H,18,20)
InChIKeyZZVLGGIFCWLMQC-UHFFFAOYSA-N
MW315.25 g/mol
LogP2.95
Rot. Bonds4

About 2,2,2-trifluoro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide

2,2,2-trifluoro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide (PubChem CID 28666240) has the molecular formula C14H12F3NO4 and a molecular weight of 315.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide
PubChem CID28666240
Molecular FormulaC14H12F3NO4
Molecular Weight315.25 g/mol
Exact Mass315.07
IUPAC Name2,2,2-trifluoro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(-c2ccc(CO)o2)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C14H12F3NO4/c1-21-12-4-2-8(11-5-3-9(7-19)22-11)6-10(12)18-13(20)14(15,16)17/h2-6,19H,7H2,1H3,(H,18,20)
InChIKeyZZVLGGIFCWLMQC-UHFFFAOYSA-N
XLogP2.95
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 52.95
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-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide (CID 28666240) is 2,2,2-trifluoro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide is COc1ccc(-c2ccc(CO)o2)cc1NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide?
The InChIKey is ZZVLGGIFCWLMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO4/c1-21-12-4-2-8(11-5-3-9(7-19)22-11)6-10(12)18-13(20)14(15,16)17/h2-6,19H,7H2,1H3,(H,18,20).
What are the key properties of 2,2,2-trifluoro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide?
2,2,2-trifluoro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide has a molecular weight of 315.25 g/mol, XLogP of 2.95, 4 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-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 28666240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).