N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pentanamide

C12H20F3NO2 — CID 90554682

IUPACN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCCC(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C12H20F3NO2/c1-2-3-4-11(17)16(9-12(13,14)15)10-5-7-18-8-6-10/h10H,2-9H2,1H3
InChIKeyXCWZGKILIIAEIK-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.75
Rot. Bonds5

About N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pentanamide

N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 90554682) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID90554682
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC NameN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCCC(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C12H20F3NO2/c1-2-3-4-11(17)16(9-12(13,14)15)10-5-7-18-8-6-10/h10H,2-9H2,1H3
InChIKeyXCWZGKILIIAEIK-UHFFFAOYSA-N
XLogP2.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pentanamide (CID 90554682) is N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pentanamide is CCCCC(=O)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is XCWZGKILIIAEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-2-3-4-11(17)16(9-12(13,14)15)10-5-7-18-8-6-10/h10H,2-9H2,1H3.
What are the key properties of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pentanamide?
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 267.29 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 90554682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).