[4-(4,4-dimethyl-1,3-oxazinan-2-yl)phenyl]-fluorotin

C12H16FNOSn — CID 142886129

IUPAC[4-(4,4-dimethyl-1,3-oxazinan-2-yl)phenyl]-fluorotin
SMILESCC1(C)CCOC(c2ccc([Sn]F)cc2)N1
InChIInChI=1S/C12H16NO.FH.Sn/c1-12(2)8-9-14-11(13-12)10-6-4-3-5-7-10;;/h4-7,11,13H,8-9H2,1-2H3;1H;/q;;+1/p-1
InChIKeyJRXYBWJTGDCDCZ-UHFFFAOYSA-M
MW327.98 g/mol
LogP1.69
Rot. Bonds2

About [4-(4,4-dimethyl-1,3-oxazinan-2-yl)phenyl]-fluorotin

[4-(4,4-dimethyl-1,3-oxazinan-2-yl)phenyl]-fluorotin (PubChem CID 142886129) has the molecular formula C12H16FNOSn and a molecular weight of 327.98 g/mol. Its IUPAC name is [4-(4,4-dimethyl-1,3-oxazinan-2-yl)phenyl]-fluorotin.

Molecular Properties

Compound Name[4-(4,4-dimethyl-1,3-oxazinan-2-yl)phenyl]-fluorotin
PubChem CID142886129
Molecular FormulaC12H16FNOSn
Molecular Weight327.98 g/mol
Exact Mass329.02
IUPAC Name[4-(4,4-dimethyl-1,3-oxazinan-2-yl)phenyl]-fluorotin
SMILESCC1(C)CCOC(c2ccc([Sn]F)cc2)N1
InChIInChI=1S/C12H16NO.FH.Sn/c1-12(2)8-9-14-11(13-12)10-6-4-3-5-7-10;;/h4-7,11,13H,8-9H2,1-2H3;1H;/q;;+1/p-1
InChIKeyJRXYBWJTGDCDCZ-UHFFFAOYSA-M
XLogP1.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.98
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4,4-dimethyl-1,3-oxazinan-2-yl)phenyl]-fluorotin?
The IUPAC name of [4-(4,4-dimethyl-1,3-oxazinan-2-yl)phenyl]-fluorotin (CID 142886129) is [4-(4,4-dimethyl-1,3-oxazinan-2-yl)phenyl]-fluorotin.
What is the SMILES notation for [4-(4,4-dimethyl-1,3-oxazinan-2-yl)phenyl]-fluorotin?
The canonical SMILES for [4-(4,4-dimethyl-1,3-oxazinan-2-yl)phenyl]-fluorotin is CC1(C)CCOC(c2ccc([Sn]F)cc2)N1.
What is the InChIKey of [4-(4,4-dimethyl-1,3-oxazinan-2-yl)phenyl]-fluorotin?
The InChIKey is JRXYBWJTGDCDCZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H16NO.FH.Sn/c1-12(2)8-9-14-11(13-12)10-6-4-3-5-7-10;;/h4-7,11,13H,8-9H2,1-2H3;1H;/q;;+1/p-1.
What are the key properties of [4-(4,4-dimethyl-1,3-oxazinan-2-yl)phenyl]-fluorotin?
[4-(4,4-dimethyl-1,3-oxazinan-2-yl)phenyl]-fluorotin has a molecular weight of 327.98 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,4-dimethyl-1,3-oxazinan-2-yl)phenyl]-fluorotin is sourced from PubChem (CID 142886129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).