N-(2-ethoxyethyl)-N-ethyl-1,2,2,6,6-pentafluorocyclohexane-1-carboxamide

C13H20F5NO2 — CID 18684107

IUPACN-(2-ethoxyethyl)-N-ethyl-1,2,2,6,6-pentafluorocyclohexane-1-carboxamide
SMILESCCOCCN(CC)C(=O)C1(F)C(F)(F)CCCC1(F)F
InChIInChI=1S/C13H20F5NO2/c1-3-19(8-9-21-4-2)10(20)13(18)11(14,15)6-5-7-12(13,16)17/h3-9H2,1-2H3
InChIKeyHWNSJOIBJGLGID-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.03
Rot. Bonds6

About N-(2-ethoxyethyl)-N-ethyl-1,2,2,6,6-pentafluorocyclohexane-1-carboxamide

N-(2-ethoxyethyl)-N-ethyl-1,2,2,6,6-pentafluorocyclohexane-1-carboxamide (PubChem CID 18684107) has the molecular formula C13H20F5NO2 and a molecular weight of 317.30 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-1,2,2,6,6-pentafluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-1,2,2,6,6-pentafluorocyclohexane-1-carboxamide
PubChem CID18684107
Molecular FormulaC13H20F5NO2
Molecular Weight317.30 g/mol
Exact Mass317.14
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-1,2,2,6,6-pentafluorocyclohexane-1-carboxamide
SMILESCCOCCN(CC)C(=O)C1(F)C(F)(F)CCCC1(F)F
InChIInChI=1S/C13H20F5NO2/c1-3-19(8-9-21-4-2)10(20)13(18)11(14,15)6-5-7-12(13,16)17/h3-9H2,1-2H3
InChIKeyHWNSJOIBJGLGID-UHFFFAOYSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-ethyl-1,2,2,6,6-pentafluorocyclohexane-1-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-1,2,2,6,6-pentafluorocyclohexane-1-carboxamide (CID 18684107) is N-(2-ethoxyethyl)-N-ethyl-1,2,2,6,6-pentafluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-1,2,2,6,6-pentafluorocyclohexane-1-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-1,2,2,6,6-pentafluorocyclohexane-1-carboxamide is CCOCCN(CC)C(=O)C1(F)C(F)(F)CCCC1(F)F.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-1,2,2,6,6-pentafluorocyclohexane-1-carboxamide?
The InChIKey is HWNSJOIBJGLGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F5NO2/c1-3-19(8-9-21-4-2)10(20)13(18)11(14,15)6-5-7-12(13,16)17/h3-9H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-1,2,2,6,6-pentafluorocyclohexane-1-carboxamide?
N-(2-ethoxyethyl)-N-ethyl-1,2,2,6,6-pentafluorocyclohexane-1-carboxamide has a molecular weight of 317.30 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-1,2,2,6,6-pentafluorocyclohexane-1-carboxamide is sourced from PubChem (CID 18684107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).