5-[4-methanimidoyl-3-(trifluoromethyl)phenoxy]pentan-1-ol

C13H16F3NO2 — CID 152998795

IUPAC5-[4-methanimidoyl-3-(trifluoromethyl)phenoxy]pentan-1-ol
SMILES[H]/N=C/c1ccc(OCCCCCO)cc1C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c14-13(15,16)12-8-11(5-4-10(12)9-17)19-7-3-1-2-6-18/h4-5,8-9,17-18H,1-3,6-7H2/b17-9+
InChIKeyUXTBZBRSQPHXCG-RQZCQDPDSA-N
MW275.27 g/mol
LogP3.24
Rot. Bonds7

About 5-[4-methanimidoyl-3-(trifluoromethyl)phenoxy]pentan-1-ol

5-[4-methanimidoyl-3-(trifluoromethyl)phenoxy]pentan-1-ol (PubChem CID 152998795) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 5-[4-methanimidoyl-3-(trifluoromethyl)phenoxy]pentan-1-ol.

Molecular Properties

Compound Name5-[4-methanimidoyl-3-(trifluoromethyl)phenoxy]pentan-1-ol
PubChem CID152998795
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name5-[4-methanimidoyl-3-(trifluoromethyl)phenoxy]pentan-1-ol
SMILES[H]/N=C/c1ccc(OCCCCCO)cc1C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c14-13(15,16)12-8-11(5-4-10(12)9-17)19-7-3-1-2-6-18/h4-5,8-9,17-18H,1-3,6-7H2/b17-9+
InChIKeyUXTBZBRSQPHXCG-RQZCQDPDSA-N
XLogP3.24
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-[4-methanimidoyl-3-(trifluoromethyl)phenoxy]pentoxy]-2-(trifluoromethyl)phenyl]methanimine
CID 162581452
4-[4-[4-methanimidoyl-3-(trifluoromethyl)phenoxy]butan-2-yloxy]-2-(trifluoromethyl)benzonitrile
CID 162581453
6-[3,5-bis(trifluoromethyl)phenoxy]hexan-1-ol
CID 90004068
11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol
CID 86182037
4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzenecarboximidamide
CID 43138698
5-dodecoxy-2-(trifluoromethyl)phenol
CID 169297983
4-[5-[4-cyano-3-(trifluoromethyl)phenoxy]pentoxy]-2-(trifluoromethyl)benzonitrile
CID 11517854
4-[4-fluoro-3-(trifluoromethyl)phenoxy]butanimidamide
CID 102747213
4-(5-aminopentoxy)-2-(trifluoromethyl)aniline
CID 164576758
(5-butoxy-2-methylphenyl)methanimine
CID 168997524
4-[6-(2-hydroxyethoxy)naphthalen-2-yl]oxybutan-1-ol
CID 138483629
11-naphthalen-2-yloxyundecan-1-ol
CID 164916130

Frequently Asked Questions

What is the IUPAC name of 5-[4-methanimidoyl-3-(trifluoromethyl)phenoxy]pentan-1-ol?
The IUPAC name of 5-[4-methanimidoyl-3-(trifluoromethyl)phenoxy]pentan-1-ol (CID 152998795) is 5-[4-methanimidoyl-3-(trifluoromethyl)phenoxy]pentan-1-ol.
What is the SMILES notation for 5-[4-methanimidoyl-3-(trifluoromethyl)phenoxy]pentan-1-ol?
The canonical SMILES for 5-[4-methanimidoyl-3-(trifluoromethyl)phenoxy]pentan-1-ol is [H]/N=C/c1ccc(OCCCCCO)cc1C(F)(F)F.
What is the InChIKey of 5-[4-methanimidoyl-3-(trifluoromethyl)phenoxy]pentan-1-ol?
The InChIKey is UXTBZBRSQPHXCG-RQZCQDPDSA-N. The full InChI is InChI=1S/C13H16F3NO2/c14-13(15,16)12-8-11(5-4-10(12)9-17)19-7-3-1-2-6-18/h4-5,8-9,17-18H,1-3,6-7H2/b17-9+.
What are the key properties of 5-[4-methanimidoyl-3-(trifluoromethyl)phenoxy]pentan-1-ol?
5-[4-methanimidoyl-3-(trifluoromethyl)phenoxy]pentan-1-ol has a molecular weight of 275.27 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methanimidoyl-3-(trifluoromethyl)phenoxy]pentan-1-ol is sourced from PubChem (CID 152998795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).