2-(oxan-4-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide

C15H14F7NO2 — CID 135071415

IUPAC2-(oxan-4-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F)C1CCOCC1
InChIInChI=1S/C15H14F7NO2/c1-6(7-2-4-25-5-3-7)14(24)23-13-11(18)9(16)8(15(20,21)22)10(17)12(13)19/h6-7H,2-5H2,1H3,(H,23,24)
InChIKeySPRRDJQORKWBLA-UHFFFAOYSA-N
MW373.27 g/mol
LogP4.26
Rot. Bonds3

About 2-(oxan-4-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide

2-(oxan-4-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide (PubChem CID 135071415) has the molecular formula C15H14F7NO2 and a molecular weight of 373.27 g/mol. Its IUPAC name is 2-(oxan-4-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(oxan-4-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
PubChem CID135071415
Molecular FormulaC15H14F7NO2
Molecular Weight373.27 g/mol
Exact Mass373.09
IUPAC Name2-(oxan-4-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F)C1CCOCC1
InChIInChI=1S/C15H14F7NO2/c1-6(7-2-4-25-5-3-7)14(24)23-13-11(18)9(16)8(15(20,21)22)10(17)12(13)19/h6-7H,2-5H2,1H3,(H,23,24)
InChIKeySPRRDJQORKWBLA-UHFFFAOYSA-N
XLogP4.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.27
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(oxan-4-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide (CID 135071415) is 2-(oxan-4-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(oxan-4-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(oxan-4-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide is CC(C(=O)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F)C1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is SPRRDJQORKWBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F7NO2/c1-6(7-2-4-25-5-3-7)14(24)23-13-11(18)9(16)8(15(20,21)22)10(17)12(13)19/h6-7H,2-5H2,1H3,(H,23,24).
What are the key properties of 2-(oxan-4-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide?
2-(oxan-4-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 373.27 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 135071415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).