4-methoxy-3,5-bis(trifluoromethyl)aniline

C9H7F6NO — CID 134640581

IUPAC4-methoxy-3,5-bis(trifluoromethyl)aniline
SMILESCOc1c(C(F)(F)F)cc(N)cc1C(F)(F)F
InChIInChI=1S/C9H7F6NO/c1-17-7-5(8(10,11)12)2-4(16)3-6(7)9(13,14)15/h2-3H,16H2,1H3
InChIKeyAJHRSHCFMHEDGO-UHFFFAOYSA-N
MW259.15 g/mol
LogP3.32
Rot. Bonds1

About 4-methoxy-3,5-bis(trifluoromethyl)aniline

4-methoxy-3,5-bis(trifluoromethyl)aniline (PubChem CID 134640581) has the molecular formula C9H7F6NO and a molecular weight of 259.15 g/mol. Its IUPAC name is 4-methoxy-3,5-bis(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-methoxy-3,5-bis(trifluoromethyl)aniline
PubChem CID134640581
Molecular FormulaC9H7F6NO
Molecular Weight259.15 g/mol
Exact Mass259.04
IUPAC Name4-methoxy-3,5-bis(trifluoromethyl)aniline
SMILESCOc1c(C(F)(F)F)cc(N)cc1C(F)(F)F
InChIInChI=1S/C9H7F6NO/c1-17-7-5(8(10,11)12)2-4(16)3-6(7)9(13,14)15/h2-3H,16H2,1H3
InChIKeyAJHRSHCFMHEDGO-UHFFFAOYSA-N
XLogP3.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-methoxy-5-(trifluoromethyl)aniline
CID 131188893
4-amino-2-methoxy-6-(trifluoromethyl)benzonitrile
CID 122362317
3-bromo-4-(difluoromethoxy)-5-(trifluoromethyl)aniline
CID 131408646
5-chloro-1-fluoro-2-methoxy-3-(trifluoromethyl)benzene
CID 171001774
5-fluoro-1-iodo-2-methoxy-3-(trifluoromethyl)benzene
CID 99769948
4-butoxy-3-chloro-5-(trifluoromethyl)aniline
CID 154260016
4-fluoro-3-methyl-5-(trifluoromethyl)aniline
CID 86277674
4-[4-[4-amino-2,6-bis(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenoxy]-3,5-bis(trifluoromethyl)aniline
CID 18691975
1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanamine
CID 84706946
5-methoxy-2,4-bis(trifluoromethyl)aniline
CID 134640552
2-methoxy-5-(trifluoromethyl)benzene-1,4-diamine
CID 162535431
1-azido-5-fluoro-2-methoxy-3-(trifluoromethyl)benzene
CID 169325979

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-bis(trifluoromethyl)aniline?
The IUPAC name of 4-methoxy-3,5-bis(trifluoromethyl)aniline (CID 134640581) is 4-methoxy-3,5-bis(trifluoromethyl)aniline.
What is the SMILES notation for 4-methoxy-3,5-bis(trifluoromethyl)aniline?
The canonical SMILES for 4-methoxy-3,5-bis(trifluoromethyl)aniline is COc1c(C(F)(F)F)cc(N)cc1C(F)(F)F.
What is the InChIKey of 4-methoxy-3,5-bis(trifluoromethyl)aniline?
The InChIKey is AJHRSHCFMHEDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6NO/c1-17-7-5(8(10,11)12)2-4(16)3-6(7)9(13,14)15/h2-3H,16H2,1H3.
What are the key properties of 4-methoxy-3,5-bis(trifluoromethyl)aniline?
4-methoxy-3,5-bis(trifluoromethyl)aniline has a molecular weight of 259.15 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-bis(trifluoromethyl)aniline is sourced from PubChem (CID 134640581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).