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

Analyze 4-(fluoromethyl)-2,4-dimethyl-3,1-benzoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).