2-fluoro-2-sulfanylidene-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxaphosphinine

C6H10FO3PS — CID 12808687

IUPAC2-fluoro-2-sulfanylidene-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxaphosphinine
SMILESFP1(=S)OCC2OCCCC2O1
InChIInChI=1S/C6H10FO3PS/c7-11(12)9-4-6-5(10-11)2-1-3-8-6/h5-6H,1-4H2
InChIKeyGLHHAUWQHUTCKI-UHFFFAOYSA-N
MW212.18 g/mol
LogP1.77
Rot. Bonds

About 2-fluoro-2-sulfanylidene-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxaphosphinine

2-fluoro-2-sulfanylidene-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxaphosphinine (PubChem CID 12808687) has the molecular formula C6H10FO3PS and a molecular weight of 212.18 g/mol. Its IUPAC name is 2-fluoro-2-sulfanylidene-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxaphosphinine.

Molecular Properties

Compound Name2-fluoro-2-sulfanylidene-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxaphosphinine
PubChem CID12808687
Molecular FormulaC6H10FO3PS
Molecular Weight212.18 g/mol
Exact Mass212.01
IUPAC Name2-fluoro-2-sulfanylidene-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxaphosphinine
SMILESFP1(=S)OCC2OCCCC2O1
InChIInChI=1S/C6H10FO3PS/c7-11(12)9-4-6-5(10-11)2-1-3-8-6/h5-6H,1-4H2
InChIKeyGLHHAUWQHUTCKI-UHFFFAOYSA-N
XLogP1.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-2-sulfanylidene-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxaphosphinine with MolForge

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Related Compounds

2-(oxiran-2-yl)oxolane
CID 18759351
2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane
CID 23848053
2-fluoro-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole 2-oxide
CID 163692288
3-(oxolan-2-yl)dioxolane
CID 22111450
(1S,6E,13R)-2,11,14-trioxabicyclo[11.4.0]heptadec-6-ene
CID 15321473
(2R,4aR,7aR)-2-methoxy-2-sulfanylidene-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3,2]dioxaphosphinine
CID 14055662
(1R,3S,5R,7S,12R,14S,17R,19S,21R,23S,28R,31S)-4,8,13,18,22,27,32-heptaoxaheptacyclo[17.13.0.03,17.05,14.07,12.021,31.023,28]dotriacontane
CID 101162206
2,2-dimethyl-4-[(2S)-oxolan-2-yl]-1,3-dioxolane
CID 121404200
2-[3-(cyclopentylmethyl)cyclobutyl]oxolane
CID 137483754
2-(oxolan-2-yl)cyclopentan-1-amine
CID 45098422
3-(oxolan-2-yl)pyrrolidine
CID 79493405
4-(oxolan-2-yl)-4,5-dihydro-1,3-oxazol-2-amine
CID 82838050

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-sulfanylidene-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxaphosphinine?
The IUPAC name of 2-fluoro-2-sulfanylidene-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxaphosphinine (CID 12808687) is 2-fluoro-2-sulfanylidene-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxaphosphinine.
What is the SMILES notation for 2-fluoro-2-sulfanylidene-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxaphosphinine?
The canonical SMILES for 2-fluoro-2-sulfanylidene-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxaphosphinine is FP1(=S)OCC2OCCCC2O1.
What is the InChIKey of 2-fluoro-2-sulfanylidene-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxaphosphinine?
The InChIKey is GLHHAUWQHUTCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FO3PS/c7-11(12)9-4-6-5(10-11)2-1-3-8-6/h5-6H,1-4H2.
What are the key properties of 2-fluoro-2-sulfanylidene-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxaphosphinine?
2-fluoro-2-sulfanylidene-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxaphosphinine has a molecular weight of 212.18 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-sulfanylidene-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxaphosphinine is sourced from PubChem (CID 12808687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).