2-Propanol, 1-(2-propynyloxy)-3-(alpha,alpha,alpha-trifluoro-o-tolyloxy)-, carbamate
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Basic information
- CAS
29483-49-6- Standard SMILES
C#CCOCC(COc1ccccc1C(F)(F)F)OC(N)=O- InChIKey
KFZMYGKAXZVKJW-UHFFFAOYSA-N- Molecular formula
- C14H14F3NO4
- Average molar mass
- 317.26 g/mol
- Monoisotopic mass
- 317.08749241
Names & identifiers
- Preferred name
- 2-Propanol, 1-(2-propynyloxy)-3-(alpha,alpha,alpha-trifluoro-o-tolyloxy)-, carbamate
- IUPAC
- [1-prop-2-ynoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-yl] carbamate
- English name
- 1-(2-Propynyloxy)-3-(alpha,alpha,alpha-trifluoro-o-tolyloxy)-2-propano l carbamate
- Molecular weight
- 0
Names & synonyms
BRN 217407029483-49-61-(2-Propynyloxy)-3-(alpha,alpha,alpha-trifluoro-o-tolyloxy)-2-propanol carbamate1-(2-Propynyloxy)-2-carbamoyl glycerol 3-(o-trifluoromethylphenyl) ether2-Propanol, 1-(2-propynyloxy)-3-(alpha,alpha,alpha-trifluoro-o-tolyloxy)-, carbamateRefChem:265727DTXSID109519931-[(Prop-2-yn-1-yl)oxy]-3-[2-(trifluoromethyl)phenoxy]propan-2-yl hydrogen carbonimidate1-(2-Propynyloxy)-3-(α,α,α-trifluoro-o-tolyloxy)-2-propanol carbamate1-(2-Propynyloxy)-3-(alpha,alpha,alpha-trifluoro-o-tolyloxy)-2-propano l carbamate
Database identifiers
- CAS
29483-49-6- PubChem CID
- 207245
- DTXSID
DTXSID10951993- Nikkaji
- J51.010F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
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Compound notes
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