N-(2,2-difluoroethyl)-2-(1-hydroxycyclohexyl)-N-(2-methoxyethyl)acetamide

C13H23F2NO3 — CID 111464506

IUPACN-(2,2-difluoroethyl)-2-(1-hydroxycyclohexyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CC(F)F)C(=O)CC1(O)CCCCC1
InChIInChI=1S/C13H23F2NO3/c1-19-8-7-16(10-11(14)15)12(17)9-13(18)5-3-2-4-6-13/h11,18H,2-10H2,1H3
InChIKeyGECNJXSYMXIMBM-UHFFFAOYSA-N
MW279.33 g/mol
LogP1.81
Rot. Bonds7

About N-(2,2-difluoroethyl)-2-(1-hydroxycyclohexyl)-N-(2-methoxyethyl)acetamide

N-(2,2-difluoroethyl)-2-(1-hydroxycyclohexyl)-N-(2-methoxyethyl)acetamide (PubChem CID 111464506) has the molecular formula C13H23F2NO3 and a molecular weight of 279.33 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-(1-hydroxycyclohexyl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-(1-hydroxycyclohexyl)-N-(2-methoxyethyl)acetamide
PubChem CID111464506
Molecular FormulaC13H23F2NO3
Molecular Weight279.33 g/mol
Exact Mass279.16
IUPAC NameN-(2,2-difluoroethyl)-2-(1-hydroxycyclohexyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CC(F)F)C(=O)CC1(O)CCCCC1
InChIInChI=1S/C13H23F2NO3/c1-19-8-7-16(10-11(14)15)12(17)9-13(18)5-3-2-4-6-13/h11,18H,2-10H2,1H3
InChIKeyGECNJXSYMXIMBM-UHFFFAOYSA-N
XLogP1.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-(1-hydroxycyclohexyl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-(1-hydroxycyclohexyl)-N-(2-methoxyethyl)acetamide (CID 111464506) is N-(2,2-difluoroethyl)-2-(1-hydroxycyclohexyl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-(1-hydroxycyclohexyl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-(1-hydroxycyclohexyl)-N-(2-methoxyethyl)acetamide is COCCN(CC(F)F)C(=O)CC1(O)CCCCC1.
What is the InChIKey of N-(2,2-difluoroethyl)-2-(1-hydroxycyclohexyl)-N-(2-methoxyethyl)acetamide?
The InChIKey is GECNJXSYMXIMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO3/c1-19-8-7-16(10-11(14)15)12(17)9-13(18)5-3-2-4-6-13/h11,18H,2-10H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-2-(1-hydroxycyclohexyl)-N-(2-methoxyethyl)acetamide?
N-(2,2-difluoroethyl)-2-(1-hydroxycyclohexyl)-N-(2-methoxyethyl)acetamide has a molecular weight of 279.33 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-(1-hydroxycyclohexyl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 111464506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).