6-chloro-N-cyclohexyl-4-(trifluoromethyl)pyridine-2-carboxamide;ethane;2-methoxyethyl hypofluorite

C18H27ClF4N2O3 — CID 156885998

IUPAC6-chloro-N-cyclohexyl-4-(trifluoromethyl)pyridine-2-carboxamide;ethane;2-methoxyethyl hypofluorite
SMILESCC.COCCOF.O=C(NC1CCCCC1)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C13H14ClF3N2O.C3H7FO2.C2H6/c14-11-7-8(13(15,16)17)6-10(19-11)12(20)18-9-4-2-1-3-5-9;1-5-2-3-6-4;1-2/h6-7,9H,1-5H2,(H,18,20);2-3H2,1H3;1-2H3
InChIKeyNBVCINGPELALFO-UHFFFAOYSA-N
MW430.87 g/mol
LogP5.38
Rot. Bonds5

About 6-chloro-N-cyclohexyl-4-(trifluoromethyl)pyridine-2-carboxamide;ethane;2-methoxyethyl hypofluorite

6-chloro-N-cyclohexyl-4-(trifluoromethyl)pyridine-2-carboxamide;ethane;2-methoxyethyl hypofluorite (PubChem CID 156885998) has the molecular formula C18H27ClF4N2O3 and a molecular weight of 430.87 g/mol. Its IUPAC name is 6-chloro-N-cyclohexyl-4-(trifluoromethyl)pyridine-2-carboxamide;ethane;2-methoxyethyl hypofluorite.

Molecular Properties

Compound Name6-chloro-N-cyclohexyl-4-(trifluoromethyl)pyridine-2-carboxamide;ethane;2-methoxyethyl hypofluorite
PubChem CID156885998
Molecular FormulaC18H27ClF4N2O3
Molecular Weight430.87 g/mol
Exact Mass430.16
IUPAC Name6-chloro-N-cyclohexyl-4-(trifluoromethyl)pyridine-2-carboxamide;ethane;2-methoxyethyl hypofluorite
SMILESCC.COCCOF.O=C(NC1CCCCC1)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C13H14ClF3N2O.C3H7FO2.C2H6/c14-11-7-8(13(15,16)17)6-10(19-11)12(20)18-9-4-2-1-3-5-9;1-5-2-3-6-4;1-2/h6-7,9H,1-5H2,(H,18,20);2-3H2,1H3;1-2H3
InChIKeyNBVCINGPELALFO-UHFFFAOYSA-N
XLogP5.38
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.87
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-chloro-N-cyclohexyl-4-(trifluoromethyl)pyridine-2-carboxamide;ethane;2-methoxyethyl hypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclohexyl-4-(trifluoromethyl)pyridine-2-carboxamide;ethane;2-methoxyethyl hypofluorite?
The IUPAC name of 6-chloro-N-cyclohexyl-4-(trifluoromethyl)pyridine-2-carboxamide;ethane;2-methoxyethyl hypofluorite (CID 156885998) is 6-chloro-N-cyclohexyl-4-(trifluoromethyl)pyridine-2-carboxamide;ethane;2-methoxyethyl hypofluorite.
What is the SMILES notation for 6-chloro-N-cyclohexyl-4-(trifluoromethyl)pyridine-2-carboxamide;ethane;2-methoxyethyl hypofluorite?
The canonical SMILES for 6-chloro-N-cyclohexyl-4-(trifluoromethyl)pyridine-2-carboxamide;ethane;2-methoxyethyl hypofluorite is CC.COCCOF.O=C(NC1CCCCC1)c1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 6-chloro-N-cyclohexyl-4-(trifluoromethyl)pyridine-2-carboxamide;ethane;2-methoxyethyl hypofluorite?
The InChIKey is NBVCINGPELALFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O.C3H7FO2.C2H6/c14-11-7-8(13(15,16)17)6-10(19-11)12(20)18-9-4-2-1-3-5-9;1-5-2-3-6-4;1-2/h6-7,9H,1-5H2,(H,18,20);2-3H2,1H3;1-2H3.
What are the key properties of 6-chloro-N-cyclohexyl-4-(trifluoromethyl)pyridine-2-carboxamide;ethane;2-methoxyethyl hypofluorite?
6-chloro-N-cyclohexyl-4-(trifluoromethyl)pyridine-2-carboxamide;ethane;2-methoxyethyl hypofluorite has a molecular weight of 430.87 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclohexyl-4-(trifluoromethyl)pyridine-2-carboxamide;ethane;2-methoxyethyl hypofluorite is sourced from PubChem (CID 156885998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).