pentafluoro-[(E)-3-morpholin-4-ylprop-1-enyl]-λ6-sulfane

C7H12F5NOS — CID 132850244

IUPACpentafluoro-[(E)-3-morpholin-4-ylprop-1-enyl]-λ6-sulfane
SMILESFS(F)(F)(F)(F)/C=C/CN1CCOCC1
InChIInChI=1S/C7H12F5NOS/c8-15(9,10,11,12)7-1-2-13-3-5-14-6-4-13/h1,7H,2-6H2/b7-1+
InChIKeyIWWDSWDFUSVFFR-LREOWRDNSA-N
MW253.24 g/mol
LogP3.13
Rot. Bonds3

About pentafluoro-[(E)-3-morpholin-4-ylprop-1-enyl]-λ6-sulfane

pentafluoro-[(E)-3-morpholin-4-ylprop-1-enyl]-λ6-sulfane (PubChem CID 132850244) has the molecular formula C7H12F5NOS and a molecular weight of 253.24 g/mol. Its IUPAC name is pentafluoro-[(E)-3-morpholin-4-ylprop-1-enyl]-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-[(E)-3-morpholin-4-ylprop-1-enyl]-λ6-sulfane
PubChem CID132850244
Molecular FormulaC7H12F5NOS
Molecular Weight253.24 g/mol
Exact Mass253.06
IUPAC Namepentafluoro-[(E)-3-morpholin-4-ylprop-1-enyl]-λ6-sulfane
SMILESFS(F)(F)(F)(F)/C=C/CN1CCOCC1
InChIInChI=1S/C7H12F5NOS/c8-15(9,10,11,12)7-1-2-13-3-5-14-6-4-13/h1,7H,2-6H2/b7-1+
InChIKeyIWWDSWDFUSVFFR-LREOWRDNSA-N
XLogP3.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(6-morpholin-4-ylhexa-2,4-dienyl)morpholine
CID 53425931
4-[(E)-but-2-enyl]morpholine
CID 10909666
4-[(E)-4-iodobut-2-enyl]morpholine
CID 118533798
4-[(E)-4-bromobut-2-enyl]morpholine
CID 118035457
4-[(E)-4,4-dimethylpent-2-enyl]morpholine
CID 21060370
4-(3-methylsulfanylprop-2-enyl)morpholine
CID 123758851
(E)-5-morpholin-4-ylpent-3-enal
CID 115013576
2-morpholin-4-ylacetaldehyde
CID 59310625
(E)-4-morpholin-4-ylbut-2-enoic acid
CID 22466617
4-[3-(2,3,5,6-tetrafluoro-4-methoxyphenyl)prop-2-enyl]morpholine
CID 2989142
4-(3-ethylsulfonylprop-2-enyl)morpholine
CID 123509713
4-[(Z)-non-2-enyl]morpholine
CID 101051916

Frequently Asked Questions

What is the IUPAC name of pentafluoro-[(E)-3-morpholin-4-ylprop-1-enyl]-λ6-sulfane?
The IUPAC name of pentafluoro-[(E)-3-morpholin-4-ylprop-1-enyl]-λ6-sulfane (CID 132850244) is pentafluoro-[(E)-3-morpholin-4-ylprop-1-enyl]-λ6-sulfane.
What is the SMILES notation for pentafluoro-[(E)-3-morpholin-4-ylprop-1-enyl]-λ6-sulfane?
The canonical SMILES for pentafluoro-[(E)-3-morpholin-4-ylprop-1-enyl]-λ6-sulfane is FS(F)(F)(F)(F)/C=C/CN1CCOCC1.
What is the InChIKey of pentafluoro-[(E)-3-morpholin-4-ylprop-1-enyl]-λ6-sulfane?
The InChIKey is IWWDSWDFUSVFFR-LREOWRDNSA-N. The full InChI is InChI=1S/C7H12F5NOS/c8-15(9,10,11,12)7-1-2-13-3-5-14-6-4-13/h1,7H,2-6H2/b7-1+.
What are the key properties of pentafluoro-[(E)-3-morpholin-4-ylprop-1-enyl]-λ6-sulfane?
pentafluoro-[(E)-3-morpholin-4-ylprop-1-enyl]-λ6-sulfane has a molecular weight of 253.24 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-[(E)-3-morpholin-4-ylprop-1-enyl]-λ6-sulfane is sourced from PubChem (CID 132850244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).