6-Amino-1-[3-(trifluoromethyl)phenyl]-1-hexanol - CAS 887360-24-9
Catalog: |
BB074443 |
Product Name: |
6-Amino-1-[3-(trifluoromethyl)phenyl]-1-hexanol |
CAS: |
887360-24-9 |
Synonyms: |
6-AMINO-1-[3-(TRIFLUOROMETHYL)PHENYL]-1-HEXANOL; 6-Amino-1-(3-(trifluoromethyl)phenyl)hexan-1-ol; 6-amino-1-[3-(trifluoromethyl)phenyl]hexan-1-ol |
IUPAC Name: | 6-amino-1-[3-(trifluoromethyl)phenyl]hexan-1-ol |
Description: | 6-Amino-1-[3-(trifluoromethyl)phenyl]-1-hexanol |
Molecular Weight: | 261.28 |
Molecular Formula: | C13H18F3NO |
Canonical SMILES: | C1=CC(=CC(=C1)C(F)(F)F)C(CCCCCN)O |
InChI: | InChI=1S/C13H18F3NO/c14-13(15,16)11-6-4-5-10(9-11)12(18)7-2-1-3-8-17/h4-6,9,12,18H,1-3,7-8,17H2 |
InChI Key: | QTPAKWYRDDFXGJ-UHFFFAOYSA-N |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.13404868 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.13404868 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 46.2Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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