cis-(1S,2R)-2-[[[3-(trifluoromethyl)phenyl]methylideneamino]methyl]cyclohexan-1-ol

C15H18F3NO — CID 101116789

IUPACcis-(1S,2R)-2-[[[3-(trifluoromethyl)phenyl]methylideneamino]methyl]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1C/N=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3NO/c16-15(17,18)13-6-3-4-11(8-13)9-19-10-12-5-1-2-7-14(12)20/h3-4,6,8-9,12,14,20H,1-2,5,7,10H2/b19-9+/t12-,14+/m1/s1
InChIKeyDOXWATPLHAZZFP-PIOYSLCCSA-N
MW285.31 g/mol
LogP3.68
Rot. Bonds3

About cis-(1S,2R)-2-[[[3-(trifluoromethyl)phenyl]methylideneamino]methyl]cyclohexan-1-ol

cis-(1S,2R)-2-[[[3-(trifluoromethyl)phenyl]methylideneamino]methyl]cyclohexan-1-ol (PubChem CID 101116789) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[[3-(trifluoromethyl)phenyl]methylideneamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[[3-(trifluoromethyl)phenyl]methylideneamino]methyl]cyclohexan-1-ol
PubChem CID101116789
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Namecis-(1S,2R)-2-[[[3-(trifluoromethyl)phenyl]methylideneamino]methyl]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1C/N=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3NO/c16-15(17,18)13-6-3-4-11(8-13)9-19-10-12-5-1-2-7-14(12)20/h3-4,6,8-9,12,14,20H,1-2,5,7,10H2/b19-9+/t12-,14+/m1/s1
InChIKeyDOXWATPLHAZZFP-PIOYSLCCSA-N
XLogP3.68
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
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 cis-(1S,2R)-2-[[[3-(trifluoromethyl)phenyl]methylideneamino]methyl]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[[[3-(trifluoromethyl)phenyl]methylideneamino]methyl]cyclohexan-1-ol (CID 101116789) is cis-(1S,2R)-2-[[[3-(trifluoromethyl)phenyl]methylideneamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[[[3-(trifluoromethyl)phenyl]methylideneamino]methyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[[[3-(trifluoromethyl)phenyl]methylideneamino]methyl]cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1C/N=C/c1cccc(C(F)(F)F)c1.
What is the InChIKey of cis-(1S,2R)-2-[[[3-(trifluoromethyl)phenyl]methylideneamino]methyl]cyclohexan-1-ol?
The InChIKey is DOXWATPLHAZZFP-PIOYSLCCSA-N. The full InChI is InChI=1S/C15H18F3NO/c16-15(17,18)13-6-3-4-11(8-13)9-19-10-12-5-1-2-7-14(12)20/h3-4,6,8-9,12,14,20H,1-2,5,7,10H2/b19-9+/t12-,14+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[[[3-(trifluoromethyl)phenyl]methylideneamino]methyl]cyclohexan-1-ol?
cis-(1S,2R)-2-[[[3-(trifluoromethyl)phenyl]methylideneamino]methyl]cyclohexan-1-ol has a molecular weight of 285.31 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[[[3-(trifluoromethyl)phenyl]methylideneamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 101116789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).