N-methoxy-4-(5,5,5-trifluoropentyl)cyclohexan-1-imine

C12H20F3NO — CID 58329768

IUPACN-methoxy-4-(5,5,5-trifluoropentyl)cyclohexan-1-imine
SMILESCON=C1CCC(CCCCC(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO/c1-17-16-11-7-5-10(6-8-11)4-2-3-9-12(13,14)15/h10H,2-9H2,1H3/b16-11-
InChIKeyDNPQIBDVWNJQOM-WJDWOHSUSA-N
MW251.29 g/mol
LogP4.30
Rot. Bonds5

About N-methoxy-4-(5,5,5-trifluoropentyl)cyclohexan-1-imine

N-methoxy-4-(5,5,5-trifluoropentyl)cyclohexan-1-imine (PubChem CID 58329768) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is N-methoxy-4-(5,5,5-trifluoropentyl)cyclohexan-1-imine.

Molecular Properties

Compound NameN-methoxy-4-(5,5,5-trifluoropentyl)cyclohexan-1-imine
PubChem CID58329768
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC NameN-methoxy-4-(5,5,5-trifluoropentyl)cyclohexan-1-imine
SMILESCON=C1CCC(CCCCC(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO/c1-17-16-11-7-5-10(6-8-11)4-2-3-9-12(13,14)15/h10H,2-9H2,1H3/b16-11-
InChIKeyDNPQIBDVWNJQOM-WJDWOHSUSA-N
XLogP4.30
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-4-(5,5,5-trifluoropentyl)cyclohexan-1-imine?
The IUPAC name of N-methoxy-4-(5,5,5-trifluoropentyl)cyclohexan-1-imine (CID 58329768) is N-methoxy-4-(5,5,5-trifluoropentyl)cyclohexan-1-imine.
What is the SMILES notation for N-methoxy-4-(5,5,5-trifluoropentyl)cyclohexan-1-imine?
The canonical SMILES for N-methoxy-4-(5,5,5-trifluoropentyl)cyclohexan-1-imine is CON=C1CCC(CCCCC(F)(F)F)CC1.
What is the InChIKey of N-methoxy-4-(5,5,5-trifluoropentyl)cyclohexan-1-imine?
The InChIKey is DNPQIBDVWNJQOM-WJDWOHSUSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-17-16-11-7-5-10(6-8-11)4-2-3-9-12(13,14)15/h10H,2-9H2,1H3/b16-11-.
What are the key properties of N-methoxy-4-(5,5,5-trifluoropentyl)cyclohexan-1-imine?
N-methoxy-4-(5,5,5-trifluoropentyl)cyclohexan-1-imine has a molecular weight of 251.29 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-4-(5,5,5-trifluoropentyl)cyclohexan-1-imine is sourced from PubChem (CID 58329768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).