2-cyclohexyl-2,2-difluoroacetamide;ethyl 2-cyclohexyl-2,2-difluoroacetate

C18H29F4NO3 — CID 158104512

IUPAC2-cyclohexyl-2,2-difluoroacetamide;ethyl 2-cyclohexyl-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)C1CCCCC1.NC(=O)C(F)(F)C1CCCCC1
InChIInChI=1S/C10H16F2O2.C8H13F2NO/c1-2-14-9(13)10(11,12)8-6-4-3-5-7-8;9-8(10,7(11)12)6-4-2-1-3-5-6/h8H,2-7H2,1H3;6H,1-5H2,(H2,11,12)
InChIKeyFPRDVMXKBBQEBT-UHFFFAOYSA-N
MW383.43 g/mol
LogP4.45
Rot. Bonds5

About 2-cyclohexyl-2,2-difluoroacetamide;ethyl 2-cyclohexyl-2,2-difluoroacetate

2-cyclohexyl-2,2-difluoroacetamide;ethyl 2-cyclohexyl-2,2-difluoroacetate (PubChem CID 158104512) has the molecular formula C18H29F4NO3 and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-cyclohexyl-2,2-difluoroacetamide;ethyl 2-cyclohexyl-2,2-difluoroacetate.

Molecular Properties

Compound Name2-cyclohexyl-2,2-difluoroacetamide;ethyl 2-cyclohexyl-2,2-difluoroacetate
PubChem CID158104512
Molecular FormulaC18H29F4NO3
Molecular Weight383.43 g/mol
Exact Mass383.21
IUPAC Name2-cyclohexyl-2,2-difluoroacetamide;ethyl 2-cyclohexyl-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)C1CCCCC1.NC(=O)C(F)(F)C1CCCCC1
InChIInChI=1S/C10H16F2O2.C8H13F2NO/c1-2-14-9(13)10(11,12)8-6-4-3-5-7-8;9-8(10,7(11)12)6-4-2-1-3-5-6/h8H,2-7H2,1H3;6H,1-5H2,(H2,11,12)
InChIKeyFPRDVMXKBBQEBT-UHFFFAOYSA-N
XLogP4.45
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 2-(4-chloro-3-deuteriocyclohexyl)-2,2-difluoroacetate
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ethyl 2-amino-2-cyclobutyl-3,3,3-trifluoropropanoate;hydrochloride
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CID 121329839
2-cyclopentyl-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973903
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ethyl 2-cyclohexyl-2-(ethoxymethyl)butanoate
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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2,2-difluoroacetamide;ethyl 2-cyclohexyl-2,2-difluoroacetate?
The IUPAC name of 2-cyclohexyl-2,2-difluoroacetamide;ethyl 2-cyclohexyl-2,2-difluoroacetate (CID 158104512) is 2-cyclohexyl-2,2-difluoroacetamide;ethyl 2-cyclohexyl-2,2-difluoroacetate.
What is the SMILES notation for 2-cyclohexyl-2,2-difluoroacetamide;ethyl 2-cyclohexyl-2,2-difluoroacetate?
The canonical SMILES for 2-cyclohexyl-2,2-difluoroacetamide;ethyl 2-cyclohexyl-2,2-difluoroacetate is CCOC(=O)C(F)(F)C1CCCCC1.NC(=O)C(F)(F)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2,2-difluoroacetamide;ethyl 2-cyclohexyl-2,2-difluoroacetate?
The InChIKey is FPRDVMXKBBQEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O2.C8H13F2NO/c1-2-14-9(13)10(11,12)8-6-4-3-5-7-8;9-8(10,7(11)12)6-4-2-1-3-5-6/h8H,2-7H2,1H3;6H,1-5H2,(H2,11,12).
What are the key properties of 2-cyclohexyl-2,2-difluoroacetamide;ethyl 2-cyclohexyl-2,2-difluoroacetate?
2-cyclohexyl-2,2-difluoroacetamide;ethyl 2-cyclohexyl-2,2-difluoroacetate has a molecular weight of 383.43 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2,2-difluoroacetamide;ethyl 2-cyclohexyl-2,2-difluoroacetate is sourced from PubChem (CID 158104512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).