8-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride

C9H9ClF3NO — CID 45480337

IUPAC8-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
SMILESCl.FC(F)(F)c1cccc2c1OCCN2
InChIInChI=1S/C9H8F3NO.ClH/c10-9(11,12)6-2-1-3-7-8(6)14-5-4-13-7;/h1-3,13H,4-5H2;1H
InChIKeyRFUFVPQXWHSDHA-UHFFFAOYSA-N
MW239.62 g/mol
LogP2.93
Rot. Bonds

About 8-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride

8-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride (PubChem CID 45480337) has the molecular formula C9H9ClF3NO and a molecular weight of 239.62 g/mol. Its IUPAC name is 8-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride.

Molecular Properties

Compound Name8-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
PubChem CID45480337
Molecular FormulaC9H9ClF3NO
Molecular Weight239.62 g/mol
Exact Mass239.03
IUPAC Name8-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
SMILESCl.FC(F)(F)c1cccc2c1OCCN2
InChIInChI=1S/C9H8F3NO.ClH/c10-9(11,12)6-2-1-3-7-8(6)14-5-4-13-7;/h1-3,13H,4-5H2;1H
InChIKeyRFUFVPQXWHSDHA-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.62
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 2763760
1-(2-(Benzyloxy)phenyl)piperazine
CID 22615724
6-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 649409
1-(2-(2-Fluorobenzyloxy)phenyl)piperazine
CID 45483446
10,11-Dihydrodibenzo(b,f)(1,4)oxazepine
CID 648933
3,4-Dihydro-2H-1,4-benzoxazine
CID 585096
6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 604828
10-(trifluoromethyl)-3,4-dihydro-2H-[1,4]oxazino[2,3-f]quinolin-8(7H)-one
CID 9921561
(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol
CID 44411564
3-phenyl-3,4-dihydro-2H-1,4-benzoxazine
CID 12474572
3,4-dihydro-2H-1-benzopyran-8-amine
CID 13757628
N-Benzyl-o-phenetidine
CID 563482

Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride?
The IUPAC name of 8-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride (CID 45480337) is 8-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride.
What is the SMILES notation for 8-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride?
The canonical SMILES for 8-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride is Cl.FC(F)(F)c1cccc2c1OCCN2.
What is the InChIKey of 8-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride?
The InChIKey is RFUFVPQXWHSDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO.ClH/c10-9(11,12)6-2-1-3-7-8(6)14-5-4-13-7;/h1-3,13H,4-5H2;1H.
What are the key properties of 8-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride?
8-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride has a molecular weight of 239.62 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride is sourced from PubChem (CID 45480337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).