2-(3-fluorophenyl)-3,5-dimethyl-3,4-dihydro-2H-1,4-benzoxazine

C16H16FNO — CID 114872220

IUPAC2-(3-fluorophenyl)-3,5-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cccc2c1NC(C)C(c1cccc(F)c1)O2
InChIInChI=1S/C16H16FNO/c1-10-5-3-8-14-15(10)18-11(2)16(19-14)12-6-4-7-13(17)9-12/h3-9,11,16,18H,1-2H3
InChIKeyDLBWQNUZNIEYNF-UHFFFAOYSA-N
MW257.31 g/mol
LogP4.07
Rot. Bonds1

About 2-(3-fluorophenyl)-3,5-dimethyl-3,4-dihydro-2H-1,4-benzoxazine

2-(3-fluorophenyl)-3,5-dimethyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 114872220) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3,5-dimethyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3,5-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID114872220
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name2-(3-fluorophenyl)-3,5-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cccc2c1NC(C)C(c1cccc(F)c1)O2
InChIInChI=1S/C16H16FNO/c1-10-5-3-8-14-15(10)18-11(2)16(19-14)12-6-4-7-13(17)9-12/h3-9,11,16,18H,1-2H3
InChIKeyDLBWQNUZNIEYNF-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-chloro-6-fluoro-2-(3-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 114872241
3,5-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile
CID 84618684
6-chloro-2-(3-chlorophenyl)-7-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82720778
2-(3-fluorophenyl)-3,6-dimethyl-1,4-oxazepane
CID 114872204
4-methyl-2,3-dihydro-1,3-benzoxazole-2-carbaldehyde
CID 174460097
2-(3-fluorophenyl)-3,6-dimethylmorpholine
CID 114872193
6-ethyl-2-(3-fluorophenyl)-3-methylmorpholine
CID 114872236
(4S,5S)-5-(3-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 134527726
4-(3-fluorophenyl)-3-methylazetidin-2-one
CID 114873177
2,3,5-trimethyl-1,2,3,4-tetrahydroquinoxaline
CID 118011663
2-(3-fluorophenyl)-3-methyl-6-propan-2-ylmorpholine
CID 114872237
(5S)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine
CID 67655096

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3,5-dimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-(3-fluorophenyl)-3,5-dimethyl-3,4-dihydro-2H-1,4-benzoxazine (CID 114872220) is 2-(3-fluorophenyl)-3,5-dimethyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-(3-fluorophenyl)-3,5-dimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-(3-fluorophenyl)-3,5-dimethyl-3,4-dihydro-2H-1,4-benzoxazine is Cc1cccc2c1NC(C)C(c1cccc(F)c1)O2.
What is the InChIKey of 2-(3-fluorophenyl)-3,5-dimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is DLBWQNUZNIEYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-10-5-3-8-14-15(10)18-11(2)16(19-14)12-6-4-7-13(17)9-12/h3-9,11,16,18H,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-3,5-dimethyl-3,4-dihydro-2H-1,4-benzoxazine?
2-(3-fluorophenyl)-3,5-dimethyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 257.31 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3,5-dimethyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 114872220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).