2,2,2-trifluoro-N-[(4-phenyloxan-4-yl)methyl]acetamide

C14H16F3NO2 — CID 802940

IUPAC2,2,2-trifluoro-N-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)C(F)(F)F
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)12(19)18-10-13(6-8-20-9-7-13)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,18,19)
InChIKeyDDAFWQHSXZCOMV-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.41
Rot. Bonds3

About 2,2,2-trifluoro-N-[(4-phenyloxan-4-yl)methyl]acetamide

2,2,2-trifluoro-N-[(4-phenyloxan-4-yl)methyl]acetamide (PubChem CID 802940) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-phenyloxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-phenyloxan-4-yl)methyl]acetamide
PubChem CID802940
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name2,2,2-trifluoro-N-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)C(F)(F)F
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)12(19)18-10-13(6-8-20-9-7-13)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,18,19)
InChIKeyDDAFWQHSXZCOMV-UHFFFAOYSA-N
XLogP2.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(4-phenyloxan-4-yl)methyl]acetamide (CID 802940) is 2,2,2-trifluoro-N-[(4-phenyloxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-phenyloxan-4-yl)methyl]acetamide is O=C(NCC1(c2ccccc2)CCOCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The InChIKey is DDAFWQHSXZCOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-14(16,17)12(19)18-10-13(6-8-20-9-7-13)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,18,19).
What are the key properties of 2,2,2-trifluoro-N-[(4-phenyloxan-4-yl)methyl]acetamide?
2,2,2-trifluoro-N-[(4-phenyloxan-4-yl)methyl]acetamide has a molecular weight of 287.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(4-phenyloxan-4-yl)methyl]acetamide is sourced from PubChem (CID 802940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).