2-[2-[4-[4-(trifluoromethyl)phenyl]butylimino]cyclohexyl]acetic acid

C19H24F3NO2 — CID 69347086

IUPAC2-[2-[4-[4-(trifluoromethyl)phenyl]butylimino]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCCC/C1=N\CCCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H24F3NO2/c20-19(21,22)16-10-8-14(9-11-16)5-3-4-12-23-17-7-2-1-6-15(17)13-18(24)25/h8-11,15H,1-7,12-13H2,(H,24,25)/b23-17+
InChIKeyBBFQWXORICOKKO-HAVVHWLPSA-N
MW355.40 g/mol
LogP5.13
Rot. Bonds7

About 2-[2-[4-[4-(trifluoromethyl)phenyl]butylimino]cyclohexyl]acetic acid

2-[2-[4-[4-(trifluoromethyl)phenyl]butylimino]cyclohexyl]acetic acid (PubChem CID 69347086) has the molecular formula C19H24F3NO2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-[2-[4-[4-(trifluoromethyl)phenyl]butylimino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-[4-(trifluoromethyl)phenyl]butylimino]cyclohexyl]acetic acid
PubChem CID69347086
Molecular FormulaC19H24F3NO2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name2-[2-[4-[4-(trifluoromethyl)phenyl]butylimino]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCCC/C1=N\CCCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H24F3NO2/c20-19(21,22)16-10-8-14(9-11-16)5-3-4-12-23-17-7-2-1-6-15(17)13-18(24)25/h8-11,15H,1-7,12-13H2,(H,24,25)/b23-17+
InChIKeyBBFQWXORICOKKO-HAVVHWLPSA-N
XLogP5.13
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.40
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[4-(trifluoromethyl)phenyl]butylimino]cyclohexyl]acetic acid?
The IUPAC name of 2-[2-[4-[4-(trifluoromethyl)phenyl]butylimino]cyclohexyl]acetic acid (CID 69347086) is 2-[2-[4-[4-(trifluoromethyl)phenyl]butylimino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[2-[4-[4-(trifluoromethyl)phenyl]butylimino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[2-[4-[4-(trifluoromethyl)phenyl]butylimino]cyclohexyl]acetic acid is O=C(O)CC1CCCC/C1=N\CCCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[2-[4-[4-(trifluoromethyl)phenyl]butylimino]cyclohexyl]acetic acid?
The InChIKey is BBFQWXORICOKKO-HAVVHWLPSA-N. The full InChI is InChI=1S/C19H24F3NO2/c20-19(21,22)16-10-8-14(9-11-16)5-3-4-12-23-17-7-2-1-6-15(17)13-18(24)25/h8-11,15H,1-7,12-13H2,(H,24,25)/b23-17+.
What are the key properties of 2-[2-[4-[4-(trifluoromethyl)phenyl]butylimino]cyclohexyl]acetic acid?
2-[2-[4-[4-(trifluoromethyl)phenyl]butylimino]cyclohexyl]acetic acid has a molecular weight of 355.40 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[4-(trifluoromethyl)phenyl]butylimino]cyclohexyl]acetic acid is sourced from PubChem (CID 69347086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).