4-[3-(trifluoromethyl)phenoxy]aniline

C13H10F3NO — CID 2760750

IUPAC4-[3-(trifluoromethyl)phenoxy]aniline
SMILESNc1ccc(Oc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C13H10F3NO/c14-13(15,16)9-2-1-3-12(8-9)18-11-6-4-10(17)5-7-11/h1-8H,17H2
InChIKeyVPVKXXRMSWUGHE-UHFFFAOYSA-N
MW253.22 g/mol
LogP4.08
Rot. Bonds2

About 4-[3-(trifluoromethyl)phenoxy]aniline

4-[3-(trifluoromethyl)phenoxy]aniline (PubChem CID 2760750) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)phenoxy]aniline.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)phenoxy]aniline
PubChem CID2760750
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name4-[3-(trifluoromethyl)phenoxy]aniline
SMILESNc1ccc(Oc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C13H10F3NO/c14-13(15,16)9-2-1-3-12(8-9)18-11-6-4-10(17)5-7-11/h1-8H,17H2
InChIKeyVPVKXXRMSWUGHE-UHFFFAOYSA-N
XLogP4.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[3-(trifluoromethyl)phenoxy]benzene-1,3-diamine
CID 126478251
3-[3-[2-[3-(3-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline;4-[3-[2-[3-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline
CID 157307509
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
CID 71146552
CID 71146552
[4-[3-(trifluoromethyl)phenoxy]phenoxy]boronic acid
CID 142798495
2-[3-(4-aminophenoxy)phenyl]-2-methylpropanenitrile
CID 116996664
4-[3-(1-amino-2-methylpropan-2-yl)phenoxy]aniline
CID 116996629
3-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043
3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride
CID 133056705
ethyl 4-[3-(trifluoromethyl)phenoxy]benzoate
CID 4268945
4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline
CID 87470163

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)phenoxy]aniline?
The IUPAC name of 4-[3-(trifluoromethyl)phenoxy]aniline (CID 2760750) is 4-[3-(trifluoromethyl)phenoxy]aniline.
What is the SMILES notation for 4-[3-(trifluoromethyl)phenoxy]aniline?
The canonical SMILES for 4-[3-(trifluoromethyl)phenoxy]aniline is Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-[3-(trifluoromethyl)phenoxy]aniline?
The InChIKey is VPVKXXRMSWUGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c14-13(15,16)9-2-1-3-12(8-9)18-11-6-4-10(17)5-7-11/h1-8H,17H2.
What are the key properties of 4-[3-(trifluoromethyl)phenoxy]aniline?
4-[3-(trifluoromethyl)phenoxy]aniline has a molecular weight of 253.22 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)phenoxy]aniline is sourced from PubChem (CID 2760750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).