[[(1Z,3Z)-3-(hydroxymethyl)hepta-1,3-dienyl]amino] thiohypofluorite

C8H14FNOS — CID 142531071

IUPAC[[(1Z,3Z)-3-(hydroxymethyl)hepta-1,3-dienyl]amino] thiohypofluorite
SMILESCCC/C=C(/C=C\NSF)CO
InChIInChI=1S/C8H14FNOS/c1-2-3-4-8(7-11)5-6-10-12-9/h4-6,10-11H,2-3,7H2,1H3/b6-5-,8-4-
InChIKeyFXMUPKIKHHDISI-QUXRQYFZSA-N
MW191.27 g/mol
LogP2.34
Rot. Bonds6

About [[(1Z,3Z)-3-(hydroxymethyl)hepta-1,3-dienyl]amino] thiohypofluorite

[[(1Z,3Z)-3-(hydroxymethyl)hepta-1,3-dienyl]amino] thiohypofluorite (PubChem CID 142531071) has the molecular formula C8H14FNOS and a molecular weight of 191.27 g/mol. Its IUPAC name is [[(1Z,3Z)-3-(hydroxymethyl)hepta-1,3-dienyl]amino] thiohypofluorite.

Molecular Properties

Compound Name[[(1Z,3Z)-3-(hydroxymethyl)hepta-1,3-dienyl]amino] thiohypofluorite
PubChem CID142531071
Molecular FormulaC8H14FNOS
Molecular Weight191.27 g/mol
Exact Mass191.08
IUPAC Name[[(1Z,3Z)-3-(hydroxymethyl)hepta-1,3-dienyl]amino] thiohypofluorite
SMILESCCC/C=C(/C=C\NSF)CO
InChIInChI=1S/C8H14FNOS/c1-2-3-4-8(7-11)5-6-10-12-9/h4-6,10-11H,2-3,7H2,1H3/b6-5-,8-4-
InChIKeyFXMUPKIKHHDISI-QUXRQYFZSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [[(1Z,3Z)-3-(hydroxymethyl)hepta-1,3-dienyl]amino] thiohypofluorite with MolForge

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Related Compounds

(6-ethyl-1H-azepin-4-yl)methanol
CID 70472240
(3Z,5Z)-6-amino-4-ethyl-2-methylidenehexa-3,5-dien-1-ol
CID 89208831
(3E)-3-[(Z)-2-aminoethenyl]hexa-3,5-dien-2-ol
CID 89374291
(3R,4E)-4-[(Z)-2-aminoethenyl]-2-methylhepta-1,4-dien-3-ol
CID 134476399
(2E,4Z)-2-[(Z)-2-aminoethenyl]hexa-2,4-dien-1-ol
CID 135196934
(3Z,6E)-6-[(Z)-2-aminoethenyl]-2,5-dimethylideneocta-3,6-dien-1-ol;ethane
CID 141921294
(Z,5Z)-5-(aminomethylidene)-2-methylidenehept-3-en-1-ol
CID 156799800
(3Z,6E)-6-[(Z)-2-aminoethenyl]-2,5-dimethylideneocta-3,6-dien-1-ol
CID 141921295

Frequently Asked Questions

What is the IUPAC name of [[(1Z,3Z)-3-(hydroxymethyl)hepta-1,3-dienyl]amino] thiohypofluorite?
The IUPAC name of [[(1Z,3Z)-3-(hydroxymethyl)hepta-1,3-dienyl]amino] thiohypofluorite (CID 142531071) is [[(1Z,3Z)-3-(hydroxymethyl)hepta-1,3-dienyl]amino] thiohypofluorite.
What is the SMILES notation for [[(1Z,3Z)-3-(hydroxymethyl)hepta-1,3-dienyl]amino] thiohypofluorite?
The canonical SMILES for [[(1Z,3Z)-3-(hydroxymethyl)hepta-1,3-dienyl]amino] thiohypofluorite is CCC/C=C(/C=C\NSF)CO.
What is the InChIKey of [[(1Z,3Z)-3-(hydroxymethyl)hepta-1,3-dienyl]amino] thiohypofluorite?
The InChIKey is FXMUPKIKHHDISI-QUXRQYFZSA-N. The full InChI is InChI=1S/C8H14FNOS/c1-2-3-4-8(7-11)5-6-10-12-9/h4-6,10-11H,2-3,7H2,1H3/b6-5-,8-4-.
What are the key properties of [[(1Z,3Z)-3-(hydroxymethyl)hepta-1,3-dienyl]amino] thiohypofluorite?
[[(1Z,3Z)-3-(hydroxymethyl)hepta-1,3-dienyl]amino] thiohypofluorite has a molecular weight of 191.27 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(1Z,3Z)-3-(hydroxymethyl)hepta-1,3-dienyl]amino] thiohypofluorite is sourced from PubChem (CID 142531071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).