3-(4-fluorophenyl)-2H-1,4-oxazine

C10H8FNO — CID 141044724

IUPAC3-(4-fluorophenyl)-2H-1,4-oxazine
SMILESFc1ccc(C2=NC=COC2)cc1
InChIInChI=1S/C10H8FNO/c11-9-3-1-8(2-4-9)10-7-13-6-5-12-10/h1-6H,7H2
InChIKeyXSSRVWQTBUFFLX-UHFFFAOYSA-N
MW177.18 g/mol
LogP2.12
Rot. Bonds1

About 3-(4-fluorophenyl)-2H-1,4-oxazine

3-(4-fluorophenyl)-2H-1,4-oxazine (PubChem CID 141044724) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2H-1,4-oxazine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2H-1,4-oxazine
PubChem CID141044724
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name3-(4-fluorophenyl)-2H-1,4-oxazine
SMILESFc1ccc(C2=NC=COC2)cc1
InChIInChI=1S/C10H8FNO/c11-9-3-1-8(2-4-9)10-7-13-6-5-12-10/h1-6H,7H2
InChIKeyXSSRVWQTBUFFLX-UHFFFAOYSA-N
XLogP2.12
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Phenyl-1,4-oxazepine
CID 13639548
2-methoxy-3-phenyl-2H-azirine
CID 14088933
3-(4-Fluorophenyl)-1,4-oxazin-2-one
CID 21264916
4-(3,4-Difluorophenyl)-2-methoxy-6-(methoxymethyl)-2,5-dihydropyrimidine
CID 53712187
5-(4-fluorophenyl)-3,6-dihydro-2H-1,4-oxazine
CID 66641810
2-[2-(2,5-Difluorophenyl)ethoxymethyl]-6-ethyl-3,4-dihydropyridine
CID 68570051
2-Butoxy-1-(2-fluorophenyl)ethanimine
CID 90253242
1-(2,3-difluorophenyl)-N-methyl-2-prop-2-enoxyethanimine
CID 126591421
2-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-oxazine
CID 139645179
2-(4-fluorophenyl)-2H-1,4-oxazine
CID 141005360
6-Fluoro-1-(methoxymethyl)-3,4-dihydroisoquinoline
CID 141220938
4-fluoro-2-(6-methyl-2H-1,4-oxazin-3-yl)benzonitrile
CID 143149759

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2H-1,4-oxazine?
The IUPAC name of 3-(4-fluorophenyl)-2H-1,4-oxazine (CID 141044724) is 3-(4-fluorophenyl)-2H-1,4-oxazine.
What is the SMILES notation for 3-(4-fluorophenyl)-2H-1,4-oxazine?
The canonical SMILES for 3-(4-fluorophenyl)-2H-1,4-oxazine is Fc1ccc(C2=NC=COC2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2H-1,4-oxazine?
The InChIKey is XSSRVWQTBUFFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c11-9-3-1-8(2-4-9)10-7-13-6-5-12-10/h1-6H,7H2.
What are the key properties of 3-(4-fluorophenyl)-2H-1,4-oxazine?
3-(4-fluorophenyl)-2H-1,4-oxazine has a molecular weight of 177.18 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2H-1,4-oxazine is sourced from PubChem (CID 141044724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).