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

C14H11ClFNO — CID 116817450

IUPAC6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1ccc(-c2ccc3c(c2)NCCO3)cc1Cl
InChIInChI=1S/C14H11ClFNO/c15-11-7-9(1-3-12(11)16)10-2-4-14-13(8-10)17-5-6-18-14/h1-4,7-8,17H,5-6H2
InChIKeyPRGFALHFAOLOLU-UHFFFAOYSA-N
MW263.70 g/mol
LogP3.95
Rot. Bonds1

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

6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 116817450) has the molecular formula C14H11ClFNO and a molecular weight of 263.70 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID116817450
Molecular FormulaC14H11ClFNO
Molecular Weight263.70 g/mol
Exact Mass263.05
IUPAC Name6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1ccc(-c2ccc3c(c2)NCCO3)cc1Cl
InChIInChI=1S/C14H11ClFNO/c15-11-7-9(1-3-12(11)16)10-2-4-14-13(8-10)17-5-6-18-14/h1-4,7-8,17H,5-6H2
InChIKeyPRGFALHFAOLOLU-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 116817450) is 6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine is Fc1ccc(-c2ccc3c(c2)NCCO3)cc1Cl.
What is the InChIKey of 6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is PRGFALHFAOLOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO/c15-11-7-9(1-3-12(11)16)10-2-4-14-13(8-10)17-5-6-18-14/h1-4,7-8,17H,5-6H2.
What are the key properties of 6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 263.70 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 116817450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).