(2R)-2-(methyliminomethyl)-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one

C15H16F3NO — CID 156552518

IUPAC(2R)-2-(methyliminomethyl)-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one
SMILESC/N=C/[C@]1(c2cccc(C(F)(F)F)c2)CCCCC1=O
InChIInChI=1S/C15H16F3NO/c1-19-10-14(8-3-2-7-13(14)20)11-5-4-6-12(9-11)15(16,17)18/h4-6,9-10H,2-3,7-8H2,1H3/b19-10+/t14-/m0/s1
InChIKeyXDCRXGJWQAZXLI-FVOVHSBVSA-N
MW283.29 g/mol
LogP3.79
Rot. Bonds2

About (2R)-2-(methyliminomethyl)-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one

(2R)-2-(methyliminomethyl)-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one (PubChem CID 156552518) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is (2R)-2-(methyliminomethyl)-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-(methyliminomethyl)-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one
PubChem CID156552518
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name(2R)-2-(methyliminomethyl)-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one
SMILESC/N=C/[C@]1(c2cccc(C(F)(F)F)c2)CCCCC1=O
InChIInChI=1S/C15H16F3NO/c1-19-10-14(8-3-2-7-13(14)20)11-5-4-6-12(9-11)15(16,17)18/h4-6,9-10H,2-3,7-8H2,1H3/b19-10+/t14-/m0/s1
InChIKeyXDCRXGJWQAZXLI-FVOVHSBVSA-N
XLogP3.79
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methyliminomethyl)-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one?
The IUPAC name of (2R)-2-(methyliminomethyl)-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one (CID 156552518) is (2R)-2-(methyliminomethyl)-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one.
What is the SMILES notation for (2R)-2-(methyliminomethyl)-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one?
The canonical SMILES for (2R)-2-(methyliminomethyl)-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one is C/N=C/[C@]1(c2cccc(C(F)(F)F)c2)CCCCC1=O.
What is the InChIKey of (2R)-2-(methyliminomethyl)-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one?
The InChIKey is XDCRXGJWQAZXLI-FVOVHSBVSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-19-10-14(8-3-2-7-13(14)20)11-5-4-6-12(9-11)15(16,17)18/h4-6,9-10H,2-3,7-8H2,1H3/b19-10+/t14-/m0/s1.
What are the key properties of (2R)-2-(methyliminomethyl)-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one?
(2R)-2-(methyliminomethyl)-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one has a molecular weight of 283.29 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methyliminomethyl)-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one is sourced from PubChem (CID 156552518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).