N-[3,5-bis(trifluoromethyl)phenoxy]aniline

C14H9F6NO — CID 158887487

IUPACN-[3,5-bis(trifluoromethyl)phenoxy]aniline
SMILESFC(F)(F)c1cc(ONc2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H9F6NO/c15-13(16,17)9-6-10(14(18,19)20)8-12(7-9)22-21-11-4-2-1-3-5-11/h1-8,21H
InChIKeyJDUVXLNMLDJFDR-UHFFFAOYSA-N
MW321.22 g/mol
LogP5.13
Rot. Bonds3

About N-[3,5-bis(trifluoromethyl)phenoxy]aniline

N-[3,5-bis(trifluoromethyl)phenoxy]aniline (PubChem CID 158887487) has the molecular formula C14H9F6NO and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenoxy]aniline.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenoxy]aniline
PubChem CID158887487
Molecular FormulaC14H9F6NO
Molecular Weight321.22 g/mol
Exact Mass321.06
IUPAC NameN-[3,5-bis(trifluoromethyl)phenoxy]aniline
SMILESFC(F)(F)c1cc(ONc2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H9F6NO/c15-13(16,17)9-6-10(14(18,19)20)8-12(7-9)22-21-11-4-2-1-3-5-11/h1-8,21H
InChIKeyJDUVXLNMLDJFDR-UHFFFAOYSA-N
XLogP5.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.22
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]aniline
CID 88524723
CID 151907169
CID 151907169
N-(3-fluorophenoxy)aniline
CID 141068441
N-[4-(4-anilinooxyphenyl)phenoxy]aniline
CID 172689227
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline
CID 62597659
2-[3,5-bis(trifluoromethyl)phenoxy]pyridine
CID 90899440
N-[3,5-bis(trifluoromethyl)phenyl]-3-phenoxypropanamide
CID 108795497
3-phenoxy-5-(trifluoromethyl)phenol
CID 66883076
O-[3,5-bis(trifluoromethyl)phenyl]hydroxylamine
CID 88700648
1-(trifluoromethoxy)-3,5-bis(trifluoromethyl)benzene
CID 18994644
1-anilino-3-[3,5-bis(trifluoromethyl)phenyl]thiourea
CID 2731554
1-phenyl-N-[3-(trifluoromethyl)phenoxy]methanamine
CID 91170353

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenoxy]aniline?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenoxy]aniline (CID 158887487) is N-[3,5-bis(trifluoromethyl)phenoxy]aniline.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenoxy]aniline?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenoxy]aniline is FC(F)(F)c1cc(ONc2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenoxy]aniline?
The InChIKey is JDUVXLNMLDJFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6NO/c15-13(16,17)9-6-10(14(18,19)20)8-12(7-9)22-21-11-4-2-1-3-5-11/h1-8,21H.
What are the key properties of N-[3,5-bis(trifluoromethyl)phenoxy]aniline?
N-[3,5-bis(trifluoromethyl)phenoxy]aniline has a molecular weight of 321.22 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenoxy]aniline is sourced from PubChem (CID 158887487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).