2,2,2-trifluoro-N-[(2S,3R)-2-[(2-methylpropan-2-yl)oxy]heptan-3-yl]acetamide

C13H24F3NO2 — CID 10493238

IUPAC2,2,2-trifluoro-N-[(2S,3R)-2-[(2-methylpropan-2-yl)oxy]heptan-3-yl]acetamide
SMILESCCCC[C@@H](NC(=O)C(F)(F)F)[C@H](C)OC(C)(C)C
InChIInChI=1S/C13H24F3NO2/c1-6-7-8-10(9(2)19-12(3,4)5)17-11(18)13(14,15)16/h9-10H,6-8H2,1-5H3,(H,17,18)/t9-,10+/m0/s1
InChIKeyWOPCTZSRGHZMLB-VHSXEESVSA-N
MW283.33 g/mol
LogP3.43
Rot. Bonds6

About 2,2,2-trifluoro-N-[(2S,3R)-2-[(2-methylpropan-2-yl)oxy]heptan-3-yl]acetamide

2,2,2-trifluoro-N-[(2S,3R)-2-[(2-methylpropan-2-yl)oxy]heptan-3-yl]acetamide (PubChem CID 10493238) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2S,3R)-2-[(2-methylpropan-2-yl)oxy]heptan-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2S,3R)-2-[(2-methylpropan-2-yl)oxy]heptan-3-yl]acetamide
PubChem CID10493238
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name2,2,2-trifluoro-N-[(2S,3R)-2-[(2-methylpropan-2-yl)oxy]heptan-3-yl]acetamide
SMILESCCCC[C@@H](NC(=O)C(F)(F)F)[C@H](C)OC(C)(C)C
InChIInChI=1S/C13H24F3NO2/c1-6-7-8-10(9(2)19-12(3,4)5)17-11(18)13(14,15)16/h9-10H,6-8H2,1-5H3,(H,17,18)/t9-,10+/m0/s1
InChIKeyWOPCTZSRGHZMLB-VHSXEESVSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2S,3R)-2-[(2-methylpropan-2-yl)oxy]heptan-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2S,3R)-2-[(2-methylpropan-2-yl)oxy]heptan-3-yl]acetamide (CID 10493238) is 2,2,2-trifluoro-N-[(2S,3R)-2-[(2-methylpropan-2-yl)oxy]heptan-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2S,3R)-2-[(2-methylpropan-2-yl)oxy]heptan-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2S,3R)-2-[(2-methylpropan-2-yl)oxy]heptan-3-yl]acetamide is CCCC[C@@H](NC(=O)C(F)(F)F)[C@H](C)OC(C)(C)C.
What is the InChIKey of 2,2,2-trifluoro-N-[(2S,3R)-2-[(2-methylpropan-2-yl)oxy]heptan-3-yl]acetamide?
The InChIKey is WOPCTZSRGHZMLB-VHSXEESVSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-6-7-8-10(9(2)19-12(3,4)5)17-11(18)13(14,15)16/h9-10H,6-8H2,1-5H3,(H,17,18)/t9-,10+/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2S,3R)-2-[(2-methylpropan-2-yl)oxy]heptan-3-yl]acetamide?
2,2,2-trifluoro-N-[(2S,3R)-2-[(2-methylpropan-2-yl)oxy]heptan-3-yl]acetamide has a molecular weight of 283.33 g/mol, XLogP of 3.43, 6 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-[(2S,3R)-2-[(2-methylpropan-2-yl)oxy]heptan-3-yl]acetamide is sourced from PubChem (CID 10493238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).