5-[4-(trifluoromethoxy)phenoxy]pentan-1-amine

C12H16F3NO2 — CID 113497382

IUPAC5-[4-(trifluoromethoxy)phenoxy]pentan-1-amine
SMILESNCCCCCOc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO2/c13-12(14,15)18-11-6-4-10(5-7-11)17-9-3-1-2-8-16/h4-7H,1-3,8-9,16H2
InChIKeyWJDPFQIDWZTPGS-UHFFFAOYSA-N
MW263.26 g/mol
LogP3.09
Rot. Bonds7

About 5-[4-(trifluoromethoxy)phenoxy]pentan-1-amine

5-[4-(trifluoromethoxy)phenoxy]pentan-1-amine (PubChem CID 113497382) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 5-[4-(trifluoromethoxy)phenoxy]pentan-1-amine.

Molecular Properties

Compound Name5-[4-(trifluoromethoxy)phenoxy]pentan-1-amine
PubChem CID113497382
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name5-[4-(trifluoromethoxy)phenoxy]pentan-1-amine
SMILESNCCCCCOc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO2/c13-12(14,15)18-11-6-4-10(5-7-11)17-9-3-1-2-8-16/h4-7H,1-3,8-9,16H2
InChIKeyWJDPFQIDWZTPGS-UHFFFAOYSA-N
XLogP3.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 43445791
3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
CID 3650737
8-(4-methoxyphenoxy)octan-1-amine
CID 90318886
1-pent-4-ynoxy-4-(trifluoromethoxy)benzene
CID 115872232
1-fluoro-4-[4-[6-[2-[6-[4-(trifluoromethoxy)phenoxy]hexoxy]phenoxy]hexoxy]phenyl]benzene
CID 102208232
N-methyl-2-[4-(trifluoromethoxy)phenoxy]ethanamine
CID 18972791
5-[4-(4-chlorophenoxy)butoxy]pentan-1-amine
CID 82353611
4-(5-aminopentoxy)-2-(trifluoromethyl)aniline
CID 164576758
3-(4-hexoxyphenoxy)propan-1-amine
CID 90318959
2,3-difluoro-1-(4-hexoxyphenyl)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388550
5-(4-methylsulfanylphenoxy)pentan-1-amine
CID 63649657
1-but-3-ynoxy-4-(trifluoromethoxy)benzene
CID 115777016

Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethoxy)phenoxy]pentan-1-amine?
The IUPAC name of 5-[4-(trifluoromethoxy)phenoxy]pentan-1-amine (CID 113497382) is 5-[4-(trifluoromethoxy)phenoxy]pentan-1-amine.
What is the SMILES notation for 5-[4-(trifluoromethoxy)phenoxy]pentan-1-amine?
The canonical SMILES for 5-[4-(trifluoromethoxy)phenoxy]pentan-1-amine is NCCCCCOc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-[4-(trifluoromethoxy)phenoxy]pentan-1-amine?
The InChIKey is WJDPFQIDWZTPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c13-12(14,15)18-11-6-4-10(5-7-11)17-9-3-1-2-8-16/h4-7H,1-3,8-9,16H2.
What are the key properties of 5-[4-(trifluoromethoxy)phenoxy]pentan-1-amine?
5-[4-(trifluoromethoxy)phenoxy]pentan-1-amine has a molecular weight of 263.26 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethoxy)phenoxy]pentan-1-amine is sourced from PubChem (CID 113497382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).