N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide

C12H22F3NO2 — CID 86985445

IUPACN-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)CCC(C)NC(=O)C(C)OCC(F)(F)F
InChIInChI=1S/C12H22F3NO2/c1-8(2)5-6-9(3)16-11(17)10(4)18-7-12(13,14)15/h8-10H,5-7H2,1-4H3,(H,16,17)
InChIKeyWFQLIVXJUJXDPH-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.89
Rot. Bonds7

About N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide

N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 86985445) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID86985445
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC NameN-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)CCC(C)NC(=O)C(C)OCC(F)(F)F
InChIInChI=1S/C12H22F3NO2/c1-8(2)5-6-9(3)16-11(17)10(4)18-7-12(13,14)15/h8-10H,5-7H2,1-4H3,(H,16,17)
InChIKeyWFQLIVXJUJXDPH-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-butylcyclopentyl)-2-ethoxypropanamide
CID 71879629
N-(7-bicyclo[4.1.0]heptanyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 72106958
2,2-Difluoro-5,6-di(propan-2-yl)morpholin-3-one
CID 123225313
(5R)-2,2-difluoro-5-methyl-6-propan-2-ylmorpholin-3-one
CID 145652599
(6S)-5,6-ditert-butyl-2,2-difluoromorpholin-3-one
CID 146575535
6,6-Difluoro-2,5-di(propan-2-yl)morpholin-3-one
CID 170011841
N-cyclohexyl-2-[3-(trifluoromethyl)cyclobutyl]oxyacetamide
CID 170085632
[1-Oxo-1-(1-piperidin-4-ylpropylamino)butan-2-yl] 2,2,2-trifluoroacetate
CID 175198476
ethane;2,2,2-trifluoro-N-(3-methoxy-4-methylpentan-2-yl)acetamide
CID 177963613
ethane;2,2,3,3,3-pentafluoro-N-(3-methoxy-4-methylpentan-2-yl)propanamide
CID 177964647
N-(1-cyclopropylpropan-2-yl)-3,3,3-trifluoro-2-methoxy-2-methylpropanamide
CID 177965045
N-butyl-2-(2,2,2-trifluoroethoxy)propanamide
CID 10513478

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide (CID 86985445) is N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide is CC(C)CCC(C)NC(=O)C(C)OCC(F)(F)F.
What is the InChIKey of N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is WFQLIVXJUJXDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-8(2)5-6-9(3)16-11(17)10(4)18-7-12(13,14)15/h8-10H,5-7H2,1-4H3,(H,16,17).
What are the key properties of N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 269.31 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 86985445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).