4-(fluoromethyl)-2,4-dimethyl-3,1-benzoxazine

C11H12FNO — CID 154714067

IUPAC4-(fluoromethyl)-2,4-dimethyl-3,1-benzoxazine
SMILESCC1=Nc2ccccc2C(C)(CF)O1
InChIInChI=1S/C11H12FNO/c1-8-13-10-6-4-3-5-9(10)11(2,7-12)14-8/h3-6H,7H2,1-2H3
InChIKeyGKJBXXZWAOZHHV-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.95
Rot. Bonds1

About 4-(fluoromethyl)-2,4-dimethyl-3,1-benzoxazine

4-(fluoromethyl)-2,4-dimethyl-3,1-benzoxazine (PubChem CID 154714067) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 4-(fluoromethyl)-2,4-dimethyl-3,1-benzoxazine.

Molecular Properties

Compound Name4-(fluoromethyl)-2,4-dimethyl-3,1-benzoxazine
PubChem CID154714067
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name4-(fluoromethyl)-2,4-dimethyl-3,1-benzoxazine
SMILESCC1=Nc2ccccc2C(C)(CF)O1
InChIInChI=1S/C11H12FNO/c1-8-13-10-6-4-3-5-9(10)11(2,7-12)14-8/h3-6H,7H2,1-2H3
InChIKeyGKJBXXZWAOZHHV-UHFFFAOYSA-N
XLogP2.95
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-4-(fluoromethyl)-4-methyl-3,1-benzoxazine
CID 154714278
4-methyl-2-(4-methylphenyl)-4-(2,2,2-trifluoroethyl)-3,1-benzoxazine
CID 122377015
(4R)-4-(bromomethyl)-4-methyl-2-phenyl-3,1-benzoxazine
CID 102454729
bis(2,3,3-trimethylindole);dihydrobromide
CID 175169971
4-(bromomethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-3,1-benzoxazine
CID 146166655
4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-3,1-benzoxazine
CID 102291699
4-(4-methyl-2-phenyl-3,1-benzoxazin-4-yl)butan-2-one
CID 162415804
2-(4-chlorophenyl)-4-(methoxymethyl)-4-methyl-3,1-benzoxazine
CID 169224673
6-chloro-2,4-dimethyl-4-phenyl-3,1-benzoxazine;hydrochloride
CID 169431883
4-methyl-2-(4-nitrophenyl)-4-(2,2,2-trifluoroethyl)-3,1-benzoxazine
CID 122377016
CID 139190869
CID 139190869
3-[2-(4-chlorophenyl)-4-methyl-3,1-benzoxazin-4-yl]propanenitrile
CID 163288493

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2,4-dimethyl-3,1-benzoxazine?
The IUPAC name of 4-(fluoromethyl)-2,4-dimethyl-3,1-benzoxazine (CID 154714067) is 4-(fluoromethyl)-2,4-dimethyl-3,1-benzoxazine.
What is the SMILES notation for 4-(fluoromethyl)-2,4-dimethyl-3,1-benzoxazine?
The canonical SMILES for 4-(fluoromethyl)-2,4-dimethyl-3,1-benzoxazine is CC1=Nc2ccccc2C(C)(CF)O1.
What is the InChIKey of 4-(fluoromethyl)-2,4-dimethyl-3,1-benzoxazine?
The InChIKey is GKJBXXZWAOZHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-8-13-10-6-4-3-5-9(10)11(2,7-12)14-8/h3-6H,7H2,1-2H3.
What are the key properties of 4-(fluoromethyl)-2,4-dimethyl-3,1-benzoxazine?
4-(fluoromethyl)-2,4-dimethyl-3,1-benzoxazine has a molecular weight of 193.22 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2,4-dimethyl-3,1-benzoxazine is sourced from PubChem (CID 154714067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).