3-[[5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]phenol

C13H12F3NO — CID 123199642

IUPAC3-[[5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]phenol
SMILESOc1cccc(/N=C2\C=CCC(C(F)(F)F)C2)c1
InChIInChI=1S/C13H12F3NO/c14-13(15,16)9-3-1-4-10(7-9)17-11-5-2-6-12(18)8-11/h1-2,4-6,8-9,18H,3,7H2/b17-10+
InChIKeyWRWBPFQFQXYLRE-LICLKQGHSA-N
MW255.24 g/mol
LogP3.99
Rot. Bonds1

About 3-[[5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]phenol

3-[[5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]phenol (PubChem CID 123199642) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is 3-[[5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]phenol.

Molecular Properties

Compound Name3-[[5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]phenol
PubChem CID123199642
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name3-[[5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]phenol
SMILESOc1cccc(/N=C2\C=CCC(C(F)(F)F)C2)c1
InChIInChI=1S/C13H12F3NO/c14-13(15,16)9-3-1-4-10(7-9)17-11-5-2-6-12(18)8-11/h1-2,4-6,8-9,18H,3,7H2/b17-10+
InChIKeyWRWBPFQFQXYLRE-LICLKQGHSA-N
XLogP3.99
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.99
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 3-[[5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]phenol?
The IUPAC name of 3-[[5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]phenol (CID 123199642) is 3-[[5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]phenol.
What is the SMILES notation for 3-[[5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]phenol?
The canonical SMILES for 3-[[5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]phenol is Oc1cccc(/N=C2\C=CCC(C(F)(F)F)C2)c1.
What is the InChIKey of 3-[[5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]phenol?
The InChIKey is WRWBPFQFQXYLRE-LICLKQGHSA-N. The full InChI is InChI=1S/C13H12F3NO/c14-13(15,16)9-3-1-4-10(7-9)17-11-5-2-6-12(18)8-11/h1-2,4-6,8-9,18H,3,7H2/b17-10+.
What are the key properties of 3-[[5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]phenol?
3-[[5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]phenol has a molecular weight of 255.24 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]phenol is sourced from PubChem (CID 123199642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).