N-[(2S)-4-cyclohexyl-1,1,1-trifluorobutan-2-yl]acetamide

C12H20F3NO — CID 134967146

IUPACN-[(2S)-4-cyclohexyl-1,1,1-trifluorobutan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C12H20F3NO/c1-9(17)16-11(12(13,14)15)8-7-10-5-3-2-4-6-10/h10-11H,2-8H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyWUHZEBUSOHVGLP-NSHDSACASA-N
MW251.29 g/mol
LogP3.41
Rot. Bonds4

About N-[(2S)-4-cyclohexyl-1,1,1-trifluorobutan-2-yl]acetamide

N-[(2S)-4-cyclohexyl-1,1,1-trifluorobutan-2-yl]acetamide (PubChem CID 134967146) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[(2S)-4-cyclohexyl-1,1,1-trifluorobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-4-cyclohexyl-1,1,1-trifluorobutan-2-yl]acetamide
PubChem CID134967146
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC NameN-[(2S)-4-cyclohexyl-1,1,1-trifluorobutan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C12H20F3NO/c1-9(17)16-11(12(13,14)15)8-7-10-5-3-2-4-6-10/h10-11H,2-8H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyWUHZEBUSOHVGLP-NSHDSACASA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-(Cyclohexylmethyl)cyclohexyl)acetamide
CID 98877
Acetamide, N-(4-hexyl-1-cyclohexyl)-
CID 38108
Acetamide, N-(3-propyl-2-hexyl)-
CID 40203
Butyramide, N-(4-butylcyclohexyl)-
CID 58003
N-Trifluoroacetyl-2-octylamine
CID 529469
N-(4-Methylcyclohexyl)acetamide
CID 286632
Propionamide, N-(1-methyl-2-propylpentyl)-
CID 3040306
Acetamide, N-(3-cyclohexylmethyl-1-cyclohexyl)-, (E)-
CID 24832173
Acetamide, N-(3-cyclohexylmethyl-1-cyclohexyl)-, (Z)-
CID 24832174
N-(2-Ethylhexyl)trifluoroacetamide
CID 546371
N,N'-(methanediyldicyclohexane-4,1-diyl)bis(2,2,2-trifluoroacetamide)
CID 2933914
3,3,3-trifluoro-N-(4-methylcyclohexyl)propanamide
CID 45806657

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-cyclohexyl-1,1,1-trifluorobutan-2-yl]acetamide?
The IUPAC name of N-[(2S)-4-cyclohexyl-1,1,1-trifluorobutan-2-yl]acetamide (CID 134967146) is N-[(2S)-4-cyclohexyl-1,1,1-trifluorobutan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-4-cyclohexyl-1,1,1-trifluorobutan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-4-cyclohexyl-1,1,1-trifluorobutan-2-yl]acetamide is CC(=O)N[C@@H](CCC1CCCCC1)C(F)(F)F.
What is the InChIKey of N-[(2S)-4-cyclohexyl-1,1,1-trifluorobutan-2-yl]acetamide?
The InChIKey is WUHZEBUSOHVGLP-NSHDSACASA-N. The full InChI is InChI=1S/C12H20F3NO/c1-9(17)16-11(12(13,14)15)8-7-10-5-3-2-4-6-10/h10-11H,2-8H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of N-[(2S)-4-cyclohexyl-1,1,1-trifluorobutan-2-yl]acetamide?
N-[(2S)-4-cyclohexyl-1,1,1-trifluorobutan-2-yl]acetamide has a molecular weight of 251.29 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-cyclohexyl-1,1,1-trifluorobutan-2-yl]acetamide is sourced from PubChem (CID 134967146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).