7-[3-(fluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine

C14H13FN2O — CID 66936552

IUPAC7-[3-(fluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
SMILESFCc1cccc(-c2cnc3c(c2)NCCO3)c1
InChIInChI=1S/C14H13FN2O/c15-8-10-2-1-3-11(6-10)12-7-13-14(17-9-12)18-5-4-16-13/h1-3,6-7,9,16H,4-5,8H2
InChIKeySJQNQJMZESEJOM-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.02
Rot. Bonds2

About 7-[3-(fluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine

7-[3-(fluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine (PubChem CID 66936552) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 7-[3-(fluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine.

Molecular Properties

Compound Name7-[3-(fluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
PubChem CID66936552
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name7-[3-(fluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
SMILESFCc1cccc(-c2cnc3c(c2)NCCO3)c1
InChIInChI=1S/C14H13FN2O/c15-8-10-2-1-3-11(6-10)12-7-13-14(17-9-12)18-5-4-16-13/h1-3,6-7,9,16H,4-5,8H2
InChIKeySJQNQJMZESEJOM-UHFFFAOYSA-N
XLogP3.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(fluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The IUPAC name of 7-[3-(fluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine (CID 66936552) is 7-[3-(fluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine.
What is the SMILES notation for 7-[3-(fluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The canonical SMILES for 7-[3-(fluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine is FCc1cccc(-c2cnc3c(c2)NCCO3)c1.
What is the InChIKey of 7-[3-(fluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The InChIKey is SJQNQJMZESEJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c15-8-10-2-1-3-11(6-10)12-7-13-14(17-9-12)18-5-4-16-13/h1-3,6-7,9,16H,4-5,8H2.
What are the key properties of 7-[3-(fluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
7-[3-(fluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine has a molecular weight of 244.27 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(fluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine is sourced from PubChem (CID 66936552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).