6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanamide

C10H19F3N2O — CID 116535472

IUPAC6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanamide
SMILESCC(C)NC(C)(CCCC(F)(F)F)C(N)=O
InChIInChI=1S/C10H19F3N2O/c1-7(2)15-9(3,8(14)16)5-4-6-10(11,12)13/h7,15H,4-6H2,1-3H3,(H2,14,16)
InChIKeyFJBNGXDMIJCWJU-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.96
Rot. Bonds6

About 6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanamide

6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanamide (PubChem CID 116535472) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanamide.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanamide
PubChem CID116535472
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanamide
SMILESCC(C)NC(C)(CCCC(F)(F)F)C(N)=O
InChIInChI=1S/C10H19F3N2O/c1-7(2)15-9(3,8(14)16)5-4-6-10(11,12)13/h7,15H,4-6H2,1-3H3,(H2,14,16)
InChIKeyFJBNGXDMIJCWJU-UHFFFAOYSA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-6-pentylsulfanyl-2-(propan-2-ylamino)hexanamide
CID 107755381
2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexanoic acid
CID 82783636
2-(cycloheptylamino)-6,6,6-trifluoro-2-methylhexanamide
CID 116535495
5-(3-methoxy-3-methylbutoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 106666736
2-methyl-2-(methylamino)-6-(3,3,3-trifluoropropoxy)hexanamide
CID 82957965
5-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 106204688
2-methyl-2-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
CID 66275717
2-(butan-2-ylamino)-6,6,6-trifluoro-2-methylhexanoic acid
CID 116535586
2-methyl-5-(methylamino)-2-(propan-2-ylamino)hexanediamide
CID 66223014
4-methoxy-2,4-dimethyl-2-(propan-2-ylamino)pentanamide
CID 60788184
2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)butanamide
CID 112589105
2-methyl-4-(2-methylbutylsulfanyl)-2-(propan-2-ylamino)butanamide
CID 107756126

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanamide?
The IUPAC name of 6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanamide (CID 116535472) is 6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanamide.
What is the SMILES notation for 6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanamide?
The canonical SMILES for 6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanamide is CC(C)NC(C)(CCCC(F)(F)F)C(N)=O.
What is the InChIKey of 6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanamide?
The InChIKey is FJBNGXDMIJCWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-7(2)15-9(3,8(14)16)5-4-6-10(11,12)13/h7,15H,4-6H2,1-3H3,(H2,14,16).
What are the key properties of 6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanamide?
6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanamide has a molecular weight of 240.27 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanamide is sourced from PubChem (CID 116535472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).