N-[3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide

C14H24F3NO3 — CID 170758105

IUPACN-[3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide
SMILESCC(=O)NC(COC(F)(F)F)C(C)OCC1CCCCC1
InChIInChI=1S/C14H24F3NO3/c1-10(20-8-12-6-4-3-5-7-12)13(18-11(2)19)9-21-14(15,16)17/h10,12-13H,3-9H2,1-2H3,(H,18,19)
InChIKeyUHFOTELRPIELSN-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.01
Rot. Bonds7

About N-[3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide

N-[3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide (PubChem CID 170758105) has the molecular formula C14H24F3NO3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide
PubChem CID170758105
Molecular FormulaC14H24F3NO3
Molecular Weight311.34 g/mol
Exact Mass311.17
IUPAC NameN-[3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide
SMILESCC(=O)NC(COC(F)(F)F)C(C)OCC1CCCCC1
InChIInChI=1S/C14H24F3NO3/c1-10(20-8-12-6-4-3-5-7-12)13(18-11(2)19)9-21-14(15,16)17/h10,12-13H,3-9H2,1-2H3,(H,18,19)
InChIKeyUHFOTELRPIELSN-UHFFFAOYSA-N
XLogP3.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide?
The IUPAC name of N-[3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide (CID 170758105) is N-[3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide.
What is the SMILES notation for N-[3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide?
The canonical SMILES for N-[3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide is CC(=O)NC(COC(F)(F)F)C(C)OCC1CCCCC1.
What is the InChIKey of N-[3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide?
The InChIKey is UHFOTELRPIELSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO3/c1-10(20-8-12-6-4-3-5-7-12)13(18-11(2)19)9-21-14(15,16)17/h10,12-13H,3-9H2,1-2H3,(H,18,19).
What are the key properties of N-[3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide?
N-[3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide has a molecular weight of 311.34 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide is sourced from PubChem (CID 170758105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).