2-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide

C14H15F4NO2 — CID 90554720

IUPAC2-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1ccccc1F)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C14H15F4NO2/c15-12-4-2-1-3-11(12)13(20)19(9-14(16,17)18)10-5-7-21-8-6-10/h1-4,10H,5-9H2
InChIKeyNIPCDUZCSJDTBR-UHFFFAOYSA-N
MW305.27 g/mol
LogP3.01
Rot. Bonds3

About 2-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide

2-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 90554720) has the molecular formula C14H15F4NO2 and a molecular weight of 305.27 g/mol. Its IUPAC name is 2-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID90554720
Molecular FormulaC14H15F4NO2
Molecular Weight305.27 g/mol
Exact Mass305.10
IUPAC Name2-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1ccccc1F)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C14H15F4NO2/c15-12-4-2-1-3-11(12)13(20)19(9-14(16,17)18)10-5-7-21-8-6-10/h1-4,10H,5-9H2
InChIKeyNIPCDUZCSJDTBR-UHFFFAOYSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide (CID 90554720) is 2-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide is O=C(c1ccccc1F)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of 2-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is NIPCDUZCSJDTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4NO2/c15-12-4-2-1-3-11(12)13(20)19(9-14(16,17)18)10-5-7-21-8-6-10/h1-4,10H,5-9H2.
What are the key properties of 2-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide?
2-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 305.27 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 90554720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).