N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroacetamide

C10H16F3NO — CID 14598684

IUPACN-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroacetamide
SMILESC[C@H](NC(=O)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H16F3NO/c1-7(8-5-3-2-4-6-8)14-9(15)10(11,12)13/h7-8H,2-6H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeyOGMDDSGBDBOSPC-ZETCQYMHSA-N
MW223.24 g/mol
LogP2.63
Rot. Bonds2

About N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroacetamide

N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroacetamide (PubChem CID 14598684) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroacetamide
PubChem CID14598684
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC NameN-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroacetamide
SMILESC[C@H](NC(=O)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H16F3NO/c1-7(8-5-3-2-4-6-8)14-9(15)10(11,12)13/h7-8H,2-6H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeyOGMDDSGBDBOSPC-ZETCQYMHSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.63
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-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroacetamide (CID 14598684) is N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroacetamide is C[C@H](NC(=O)C(F)(F)F)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroacetamide?
The InChIKey is OGMDDSGBDBOSPC-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-7(8-5-3-2-4-6-8)14-9(15)10(11,12)13/h7-8H,2-6H2,1H3,(H,14,15)/t7-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroacetamide?
N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroacetamide has a molecular weight of 223.24 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 14598684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).