N-[1-(cyclopropylmethylsulfanyl)-3-trimethylsilyloxypropan-2-yl]-2,2-difluoroethanimine

C12H23F2NOSSi — CID 66972796

IUPACN-[1-(cyclopropylmethylsulfanyl)-3-trimethylsilyloxypropan-2-yl]-2,2-difluoroethanimine
SMILESC[Si](C)(C)OCC(CSCC1CC1)/N=C/C(F)F
InChIInChI=1S/C12H23F2NOSSi/c1-18(2,3)16-7-11(15-6-12(13)14)9-17-8-10-4-5-10/h6,10-12H,4-5,7-9H2,1-3H3/b15-6+
InChIKeyDPAYTQPNWMQYIE-GIDUJCDVSA-N
MW295.47 g/mol
LogP3.69
Rot. Bonds9

About N-[1-(cyclopropylmethylsulfanyl)-3-trimethylsilyloxypropan-2-yl]-2,2-difluoroethanimine

N-[1-(cyclopropylmethylsulfanyl)-3-trimethylsilyloxypropan-2-yl]-2,2-difluoroethanimine (PubChem CID 66972796) has the molecular formula C12H23F2NOSSi and a molecular weight of 295.47 g/mol. Its IUPAC name is N-[1-(cyclopropylmethylsulfanyl)-3-trimethylsilyloxypropan-2-yl]-2,2-difluoroethanimine.

Molecular Properties

Compound NameN-[1-(cyclopropylmethylsulfanyl)-3-trimethylsilyloxypropan-2-yl]-2,2-difluoroethanimine
PubChem CID66972796
Molecular FormulaC12H23F2NOSSi
Molecular Weight295.47 g/mol
Exact Mass295.12
IUPAC NameN-[1-(cyclopropylmethylsulfanyl)-3-trimethylsilyloxypropan-2-yl]-2,2-difluoroethanimine
SMILESC[Si](C)(C)OCC(CSCC1CC1)/N=C/C(F)F
InChIInChI=1S/C12H23F2NOSSi/c1-18(2,3)16-7-11(15-6-12(13)14)9-17-8-10-4-5-10/h6,10-12H,4-5,7-9H2,1-3H3/b15-6+
InChIKeyDPAYTQPNWMQYIE-GIDUJCDVSA-N
XLogP3.69
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoroethylsulfanylmethylcyclopropane
CID 130682739
3-(cyclopropylmethylsulfanyl)-2-methylpropan-1-ol
CID 66104453
1-(cyclopentylmethylsulfanyl)propan-2-ol
CID 63119780
2-(cyclopentylmethylsulfanyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104755768
1-butoxy-3-(cyclopentylmethylsulfanyl)propan-2-ol
CID 107264112
3-(oxan-4-ylmethylsulfanyl)propane-1,2-diol
CID 79683221
3-(cyclopropylmethylsulfanyl)-2-(2,2,3,3,3-pentafluoropropylamino)propanoic acid
CID 91276530
2-(cyclopentylmethylsulfanyl)-1-(oxolan-3-yl)ethanamine
CID 104755775
2-methyl-3-trimethylsilyloxypropanal
CID 75300382
(5E,7Z)-2-[1-amino-2-(cyclopropylmethylsulfanyl)ethyl]-6-(2-cyclopropylethoxy)-2-hydroxy-4-methylideneundeca-5,7-dienoic acid
CID 146556705
3-(cyclopropylmethylsulfanyl)-2-[[2,2-difluoro-2-(4-fluorophenoxy)ethyl]amino]propanoic acid
CID 67370039
N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 115729284

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethylsulfanyl)-3-trimethylsilyloxypropan-2-yl]-2,2-difluoroethanimine?
The IUPAC name of N-[1-(cyclopropylmethylsulfanyl)-3-trimethylsilyloxypropan-2-yl]-2,2-difluoroethanimine (CID 66972796) is N-[1-(cyclopropylmethylsulfanyl)-3-trimethylsilyloxypropan-2-yl]-2,2-difluoroethanimine.
What is the SMILES notation for N-[1-(cyclopropylmethylsulfanyl)-3-trimethylsilyloxypropan-2-yl]-2,2-difluoroethanimine?
The canonical SMILES for N-[1-(cyclopropylmethylsulfanyl)-3-trimethylsilyloxypropan-2-yl]-2,2-difluoroethanimine is C[Si](C)(C)OCC(CSCC1CC1)/N=C/C(F)F.
What is the InChIKey of N-[1-(cyclopropylmethylsulfanyl)-3-trimethylsilyloxypropan-2-yl]-2,2-difluoroethanimine?
The InChIKey is DPAYTQPNWMQYIE-GIDUJCDVSA-N. The full InChI is InChI=1S/C12H23F2NOSSi/c1-18(2,3)16-7-11(15-6-12(13)14)9-17-8-10-4-5-10/h6,10-12H,4-5,7-9H2,1-3H3/b15-6+.
What are the key properties of N-[1-(cyclopropylmethylsulfanyl)-3-trimethylsilyloxypropan-2-yl]-2,2-difluoroethanimine?
N-[1-(cyclopropylmethylsulfanyl)-3-trimethylsilyloxypropan-2-yl]-2,2-difluoroethanimine has a molecular weight of 295.47 g/mol, XLogP of 3.69, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethylsulfanyl)-3-trimethylsilyloxypropan-2-yl]-2,2-difluoroethanimine is sourced from PubChem (CID 66972796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).