(5E)-5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol

C14H19F3N2O2 — CID 46781165

IUPAC(5E)-5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol
SMILESNCCO/N=C(\CCCCO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c15-14(16,17)12-6-4-11(5-7-12)13(3-1-2-9-20)19-21-10-8-18/h4-7,20H,1-3,8-10,18H2/b19-13+
InChIKeyGCSLDHTZSDNYEC-CPNJWEJPSA-N
MW304.31 g/mol
LogP2.55
Rot. Bonds8

About (5E)-5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol

(5E)-5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol (PubChem CID 46781165) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is (5E)-5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol.

Molecular Properties

Compound Name(5E)-5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol
PubChem CID46781165
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name(5E)-5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol
SMILESNCCO/N=C(\CCCCO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c15-14(16,17)12-6-4-11(5-7-12)13(3-1-2-9-20)19-21-10-8-18/h4-7,20H,1-3,8-10,18H2/b19-13+
InChIKeyGCSLDHTZSDNYEC-CPNJWEJPSA-N
XLogP2.55
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (5E)-5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol?
The IUPAC name of (5E)-5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol (CID 46781165) is (5E)-5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol.
What is the SMILES notation for (5E)-5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol?
The canonical SMILES for (5E)-5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol is NCCO/N=C(\CCCCO)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (5E)-5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol?
The InChIKey is GCSLDHTZSDNYEC-CPNJWEJPSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c15-14(16,17)12-6-4-11(5-7-12)13(3-1-2-9-20)19-21-10-8-18/h4-7,20H,1-3,8-10,18H2/b19-13+.
What are the key properties of (5E)-5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol?
(5E)-5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol has a molecular weight of 304.31 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol is sourced from PubChem (CID 46781165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).