N-(1-cyclohexylpropan-2-yl)-2,2,2-trifluoro-N-methylacetamide

C12H20F3NO — CID 91752759

IUPACN-(1-cyclohexylpropan-2-yl)-2,2,2-trifluoro-N-methylacetamide
SMILESCC(CC1CCCCC1)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C12H20F3NO/c1-9(8-10-6-4-3-5-7-10)16(2)11(17)12(13,14)15/h9-10H,3-8H2,1-2H3
InChIKeyBJLZNJGOTSOJPE-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.37
Rot. Bonds3

About N-(1-cyclohexylpropan-2-yl)-2,2,2-trifluoro-N-methylacetamide

N-(1-cyclohexylpropan-2-yl)-2,2,2-trifluoro-N-methylacetamide (PubChem CID 91752759) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(1-cyclohexylpropan-2-yl)-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-(1-cyclohexylpropan-2-yl)-2,2,2-trifluoro-N-methylacetamide
PubChem CID91752759
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC NameN-(1-cyclohexylpropan-2-yl)-2,2,2-trifluoro-N-methylacetamide
SMILESCC(CC1CCCCC1)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C12H20F3NO/c1-9(8-10-6-4-3-5-7-10)16(2)11(17)12(13,14)15/h9-10H,3-8H2,1-2H3
InChIKeyBJLZNJGOTSOJPE-UHFFFAOYSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Trifluoroacetamide, N-(1-cyclohexylethyl)
CID 529467
trans-Decahydroquinoline, N-trifluoroacetyl-
CID 62491614
N-cyclohexyl-2,2,2-trifluoro-N-propan-2-ylacetamide
CID 125502413
1-(cis-4-Butyl-3-fluoropiperidin-1-yl)-2,2,2-trifluoroethan-1-one
CID 134827892
N-[(2S)-4-cyclohexyl-1,1,1-trifluorobutan-2-yl]acetamide
CID 134967146
N,N-Di(2-ethylhexyl)trifluoroacetamide
CID 587630
Acetamide, N-(2-ethylhexyl)-2,2,2-trifluoro-N-methyl-
CID 587683
N-Methyl-N-trifluoroacetyl-2-octylamine
CID 592910
Propylhexadrine, n-heptafluorobutyryl deriv.
CID 620271
N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroacetamide
CID 14598684
N-[(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)methyl]-N-methylacetamide
CID 17997695
2,2,2-Trifluoro-1-[4-(4-methylpentyl)piperidin-1-yl]ethanone
CID 20811814

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpropan-2-yl)-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-(1-cyclohexylpropan-2-yl)-2,2,2-trifluoro-N-methylacetamide (CID 91752759) is N-(1-cyclohexylpropan-2-yl)-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-(1-cyclohexylpropan-2-yl)-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-(1-cyclohexylpropan-2-yl)-2,2,2-trifluoro-N-methylacetamide is CC(CC1CCCCC1)N(C)C(=O)C(F)(F)F.
What is the InChIKey of N-(1-cyclohexylpropan-2-yl)-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is BJLZNJGOTSOJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-9(8-10-6-4-3-5-7-10)16(2)11(17)12(13,14)15/h9-10H,3-8H2,1-2H3.
What are the key properties of N-(1-cyclohexylpropan-2-yl)-2,2,2-trifluoro-N-methylacetamide?
N-(1-cyclohexylpropan-2-yl)-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 251.29 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpropan-2-yl)-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 91752759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).