6-(3-fluorophenyl)-2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazine

C17H18FNO — CID 23435595

IUPAC6-(3-fluorophenyl)-2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazine
SMILESCC1Nc2ccc(-c3cccc(F)c3)cc2C(C)(C)O1
InChIInChI=1S/C17H18FNO/c1-11-19-16-8-7-13(10-15(16)17(2,3)20-11)12-5-4-6-14(18)9-12/h4-11,19H,1-3H3
InChIKeyOFEAVBXFFPQRKC-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.52
Rot. Bonds1

About 6-(3-fluorophenyl)-2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazine

6-(3-fluorophenyl)-2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazine (PubChem CID 23435595) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazine.

Molecular Properties

Compound Name6-(3-fluorophenyl)-2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazine
PubChem CID23435595
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC Name6-(3-fluorophenyl)-2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazine
SMILESCC1Nc2ccc(-c3cccc(F)c3)cc2C(C)(C)O1
InChIInChI=1S/C17H18FNO/c1-11-19-16-8-7-13(10-15(16)17(2,3)20-11)12-5-4-6-14(18)9-12/h4-11,19H,1-3H3
InChIKeyOFEAVBXFFPQRKC-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazine?
The IUPAC name of 6-(3-fluorophenyl)-2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazine (CID 23435595) is 6-(3-fluorophenyl)-2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazine.
What is the SMILES notation for 6-(3-fluorophenyl)-2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazine?
The canonical SMILES for 6-(3-fluorophenyl)-2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazine is CC1Nc2ccc(-c3cccc(F)c3)cc2C(C)(C)O1.
What is the InChIKey of 6-(3-fluorophenyl)-2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazine?
The InChIKey is OFEAVBXFFPQRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-11-19-16-8-7-13(10-15(16)17(2,3)20-11)12-5-4-6-14(18)9-12/h4-11,19H,1-3H3.
What are the key properties of 6-(3-fluorophenyl)-2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazine?
6-(3-fluorophenyl)-2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazine has a molecular weight of 271.33 g/mol, XLogP of 4.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazine is sourced from PubChem (CID 23435595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).