N-(4-butylcyclohexyl)-2-(2,2,2-trifluoroethoxy)acetamide

C14H24F3NO2 — CID 86843794

IUPACN-(4-butylcyclohexyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCCCC1CCC(NC(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C14H24F3NO2/c1-2-3-4-11-5-7-12(8-6-11)18-13(19)9-20-10-14(15,16)17/h11-12H,2-10H2,1H3,(H,18,19)
InChIKeyWPVMEJASNVUIBP-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.43
Rot. Bonds7

About N-(4-butylcyclohexyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(4-butylcyclohexyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 86843794) has the molecular formula C14H24F3NO2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(4-butylcyclohexyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(4-butylcyclohexyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID86843794
Molecular FormulaC14H24F3NO2
Molecular Weight295.34 g/mol
Exact Mass295.18
IUPAC NameN-(4-butylcyclohexyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCCCC1CCC(NC(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C14H24F3NO2/c1-2-3-4-11-5-7-12(8-6-11)18-13(19)9-20-10-14(15,16)17/h11-12H,2-10H2,1H3,(H,18,19)
InChIKeyWPVMEJASNVUIBP-UHFFFAOYSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylcyclohexyl)-2-[2-[(4-methylcyclohexyl)amino]-2-oxoethoxy]acetamide
CID 45841928
2-methoxy-N-(2-propylcyclohexyl)acetamide
CID 56824749
N-(7-bicyclo[4.1.0]heptanyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 72106958
N-[(1R)-1-cyclohexylethyl]-2-methoxyacetamide
CID 81385907
N-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 45823361
N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 45823382
N-(2-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 45823425
N-cyclohexyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 45823458
N-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 45823583
2-propan-2-yloxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 48144627
2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 48144766
2-propoxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 48674624

Frequently Asked Questions

What is the IUPAC name of N-(4-butylcyclohexyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(4-butylcyclohexyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 86843794) is N-(4-butylcyclohexyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(4-butylcyclohexyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(4-butylcyclohexyl)-2-(2,2,2-trifluoroethoxy)acetamide is CCCCC1CCC(NC(=O)COCC(F)(F)F)CC1.
What is the InChIKey of N-(4-butylcyclohexyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is WPVMEJASNVUIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c1-2-3-4-11-5-7-12(8-6-11)18-13(19)9-20-10-14(15,16)17/h11-12H,2-10H2,1H3,(H,18,19).
What are the key properties of N-(4-butylcyclohexyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(4-butylcyclohexyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 295.34 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylcyclohexyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 86843794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).