N-[4-(2,2-difluoro-2-hydroxyethoxy)cyclohexyl]acetamide

C10H17F2NO3 — CID 118327197

IUPACN-[4-(2,2-difluoro-2-hydroxyethoxy)cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(OCC(O)(F)F)CC1
InChIInChI=1S/C10H17F2NO3/c1-7(14)13-8-2-4-9(5-3-8)16-6-10(11,12)15/h8-9,15H,2-6H2,1H3,(H,13,14)
InChIKeyHIXSPZNHLAOKKA-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.04
Rot. Bonds4

About N-[4-(2,2-difluoro-2-hydroxyethoxy)cyclohexyl]acetamide

N-[4-(2,2-difluoro-2-hydroxyethoxy)cyclohexyl]acetamide (PubChem CID 118327197) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is N-[4-(2,2-difluoro-2-hydroxyethoxy)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-(2,2-difluoro-2-hydroxyethoxy)cyclohexyl]acetamide
PubChem CID118327197
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC NameN-[4-(2,2-difluoro-2-hydroxyethoxy)cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(OCC(O)(F)F)CC1
InChIInChI=1S/C10H17F2NO3/c1-7(14)13-8-2-4-9(5-3-8)16-6-10(11,12)15/h8-9,15H,2-6H2,1H3,(H,13,14)
InChIKeyHIXSPZNHLAOKKA-UHFFFAOYSA-N
XLogP1.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-difluoro-2-hydroxyethoxy)cyclohexyl]acetamide?
The IUPAC name of N-[4-(2,2-difluoro-2-hydroxyethoxy)cyclohexyl]acetamide (CID 118327197) is N-[4-(2,2-difluoro-2-hydroxyethoxy)cyclohexyl]acetamide.
What is the SMILES notation for N-[4-(2,2-difluoro-2-hydroxyethoxy)cyclohexyl]acetamide?
The canonical SMILES for N-[4-(2,2-difluoro-2-hydroxyethoxy)cyclohexyl]acetamide is CC(=O)NC1CCC(OCC(O)(F)F)CC1.
What is the InChIKey of N-[4-(2,2-difluoro-2-hydroxyethoxy)cyclohexyl]acetamide?
The InChIKey is HIXSPZNHLAOKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c1-7(14)13-8-2-4-9(5-3-8)16-6-10(11,12)15/h8-9,15H,2-6H2,1H3,(H,13,14).
What are the key properties of N-[4-(2,2-difluoro-2-hydroxyethoxy)cyclohexyl]acetamide?
N-[4-(2,2-difluoro-2-hydroxyethoxy)cyclohexyl]acetamide has a molecular weight of 237.25 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-difluoro-2-hydroxyethoxy)cyclohexyl]acetamide is sourced from PubChem (CID 118327197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).