Basic information
- CAS
794461-84-0- Standard SMILES
FC(F)(F)c1ccc2c(n1)CCNC2- InChIKey
XTHCVKRDECVOHA-UHFFFAOYSA-N- Molecular formula
- C9H9F3N2
- Average molar mass
- 202.18 g/mol
- Monoisotopic mass
- 202.07178295
Names & identifiers
- Preferred name
- 2-(Trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
- IUPAC
- 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
- English name
- 2-Trifluoromethyl-5,6,7,8-tetrahydro-[1,6]naphthyridine
- Molecular formula
- C9H9F3N2
- Molecular weight
- 202.18
Names & synonyms
794461-84-02-(TRIFLUOROMETHYL)-5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDINE2-TRIFLUOROMETHYL-5,6,7,8-TETRAHYDRO-[1,6]NAPHTHYRIDINEMFCD11847908SCHEMBL1019803DTXSID90703811AB64750s11012CS-0099539EN300-86713501,6-Naphthyridine, 5,6,7,8-tetrahydro-2-(trifluoromethyl)-
Database identifiers
- CAS
794461-84-0- PubChem CID
- 53471984
- DTXSID
DTXSID90703811
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Boiling point
- 228.7 · 228.7±35.0 °C(Predicted)
- Density
- 1.271 · 1.271±0.06 g/cm3(Predicted)
- pka
- 7.26 · 7.26±0.20(Predicted)
Chemistry & industry
Suppliers11 total
金瓯生物医药（南京）有限公司13000000000 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
成都佩普医药科技有限公司028-61715638 18011352545
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Related reactions
6 records
Compound notes
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