2-(Benzyloxy)-5-(trifluoromethyl)aniline
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Basic information
- CAS
117901-14-1- Standard SMILES
Nc1cc(C(F)(F)F)ccc1OCc1ccccc1- InChIKey
VKHDZWQPEGTTJC-UHFFFAOYSA-N- Molecular formula
- C14H12F3NO
- Average molar mass
- 267.25 g/mol
- Monoisotopic mass
- 267.08709849
Names & identifiers
- Preferred name
- 2-(Benzyloxy)-5-(trifluoromethyl)aniline
- IUPAC
- 2-phenylmethoxy-5-(trifluoromethyl)aniline
- English name
- 2-(BENZYLOXY)-5-(TRIFLUOROMETHYL)ANILINE
- Molecular formula
- C14H12F3NO
- Molecular weight
- 267.25
Names & synonyms
2-(BENZYLOXY)-5-(TRIFLUOROMETHYL)ANILINE117901-14-1DTXSID40350652RefChem:253244DTXCID303017192-phenylmethoxy-5-(trifluoromethyl)anilineBenzenamine, 2-(phenylmethoxy)-5-(trifluoromethyl)-TimTec1_004251SCHEMBL6080280HMS1546B05MFCD01199528AKOS000214853
Show more names
AKOS B0333682-(Phenylmethoxy)-5-(trifluoromethyl)benzenamine
SB81709DB-202301CS-0270070EN300-207992H42011AG-205/12013048F679531SR-01000520690
Database identifiers
- CAS
117901-14-1- PubChem CID
- 685186
- DTXSID
DTXSID40350652
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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