(2R,3R)-N,N,N',N'-tetraethyl-2-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pentanediamide

C16H26F6N2O2 — CID 94035120

IUPAC(2R,3R)-N,N,N',N'-tetraethyl-2-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pentanediamide
SMILESCCN(CC)C(=O)C[C@H]([C@@H](CC(F)(F)F)C(=O)N(CC)CC)C(F)(F)F
InChIInChI=1S/C16H26F6N2O2/c1-5-23(6-2)13(25)9-12(16(20,21)22)11(10-15(17,18)19)14(26)24(7-3)8-4/h11-12H,5-10H2,1-4H3/t11-,12-/m1/s1
InChIKeyZISXYTBEXWOPPY-VXGBXAGGSA-N
MW392.38 g/mol
LogP3.86
Rot. Bonds9

About (2R,3R)-N,N,N',N'-tetraethyl-2-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pentanediamide

(2R,3R)-N,N,N',N'-tetraethyl-2-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pentanediamide (PubChem CID 94035120) has the molecular formula C16H26F6N2O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is (2R,3R)-N,N,N',N'-tetraethyl-2-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pentanediamide.

Molecular Properties

Compound Name(2R,3R)-N,N,N',N'-tetraethyl-2-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pentanediamide
PubChem CID94035120
Molecular FormulaC16H26F6N2O2
Molecular Weight392.38 g/mol
Exact Mass392.19
IUPAC Name(2R,3R)-N,N,N',N'-tetraethyl-2-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pentanediamide
SMILESCCN(CC)C(=O)C[C@H]([C@@H](CC(F)(F)F)C(=O)N(CC)CC)C(F)(F)F
InChIInChI=1S/C16H26F6N2O2/c1-5-23(6-2)13(25)9-12(16(20,21)22)11(10-15(17,18)19)14(26)24(7-3)8-4/h11-12H,5-10H2,1-4H3/t11-,12-/m1/s1
InChIKeyZISXYTBEXWOPPY-VXGBXAGGSA-N
XLogP3.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2774042
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4-amino-N,N-diethyl-3-(2,2,2-trifluoroethylamino)butanamide
CID 66432916
(3R)-N,N-diethyl-3-hydroxybutanamide
CID 11542825
N,N-diethyl-2-(3,3,3-trifluoropropylamino)acetamide
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N,N-diethyl-4-(trifluoromethyl)hexanamide
CID 87943140
N,N-diethyl-2-methylpropanamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 159940751
N,N,N',N'-tetraethyl-2-(1,1,1-trifluoro-2-methylpropan-2-yl)propanediamide
CID 141227634
3-(2,2-dimethylpropanoyl)-N,N-diethyl-5,5-dimethyl-4-oxohexanamide
CID 91568368
N,N-diethyl-2-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]sulfonylamino]acetamide
CID 97347551
N,N-diethyl-2-(trifluoromethyl)decanamide
CID 87943520
N,N-diethyl-2-(trifluoromethyl)nonanamide
CID 87943381

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N,N,N',N'-tetraethyl-2-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pentanediamide?
The IUPAC name of (2R,3R)-N,N,N',N'-tetraethyl-2-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pentanediamide (CID 94035120) is (2R,3R)-N,N,N',N'-tetraethyl-2-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pentanediamide.
What is the SMILES notation for (2R,3R)-N,N,N',N'-tetraethyl-2-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pentanediamide?
The canonical SMILES for (2R,3R)-N,N,N',N'-tetraethyl-2-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pentanediamide is CCN(CC)C(=O)C[C@H]([C@@H](CC(F)(F)F)C(=O)N(CC)CC)C(F)(F)F.
What is the InChIKey of (2R,3R)-N,N,N',N'-tetraethyl-2-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pentanediamide?
The InChIKey is ZISXYTBEXWOPPY-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H26F6N2O2/c1-5-23(6-2)13(25)9-12(16(20,21)22)11(10-15(17,18)19)14(26)24(7-3)8-4/h11-12H,5-10H2,1-4H3/t11-,12-/m1/s1.
What are the key properties of (2R,3R)-N,N,N',N'-tetraethyl-2-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pentanediamide?
(2R,3R)-N,N,N',N'-tetraethyl-2-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pentanediamide has a molecular weight of 392.38 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N,N,N',N'-tetraethyl-2-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pentanediamide is sourced from PubChem (CID 94035120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).