2-fluoro-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole 2-oxide

C6H10FO3P — CID 163692288

IUPAC2-fluoro-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole 2-oxide
SMILESO=P1(F)OC2CCCCC2O1
InChIInChI=1S/C6H10FO3P/c7-11(8)9-5-3-1-2-4-6(5)10-11/h5-6H,1-4H2
InChIKeyJTZISDIMEQINMX-UHFFFAOYSA-N
MW180.11 g/mol
LogP2.42
Rot. Bonds

About 2-fluoro-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole 2-oxide

2-fluoro-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole 2-oxide (PubChem CID 163692288) has the molecular formula C6H10FO3P and a molecular weight of 180.11 g/mol. Its IUPAC name is 2-fluoro-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole 2-oxide.

Molecular Properties

Compound Name2-fluoro-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole 2-oxide
PubChem CID163692288
Molecular FormulaC6H10FO3P
Molecular Weight180.11 g/mol
Exact Mass180.04
IUPAC Name2-fluoro-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole 2-oxide
SMILESO=P1(F)OC2CCCCC2O1
InChIInChI=1S/C6H10FO3P/c7-11(8)9-5-3-1-2-4-6(5)10-11/h5-6H,1-4H2
InChIKeyJTZISDIMEQINMX-UHFFFAOYSA-N
XLogP2.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.11
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dihydroxy-3,5,7a,8,9,10,11,11a-octahydrobenzo[h][1,4,7,2,6]trioxadiphosphonine 2,6-dioxide
CID 159109458
2-fluoro-4,6-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 12729221
(1S,6R)-7-oxabicyclo[4.1.0]heptane
CID 637978
2-fluoro-2-sulfanylidene-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxaphosphinine
CID 12808687
25-oxabicyclo[22.1.0]pentacosane
CID 156633217
7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 88907444
(6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 122419523
(4aR,8aS)-5-benzyl-2-fluoro-5-methyl-4,4a,6,7,8,8a-hexahydro-[1,3,2]dioxaphosphinino[5,4-b]pyridin-5-ium 2-oxide
CID 11362892
2-hydroxy-6-(5-methyloxolan-2-yl)-1,2λ5-oxaphosphinane 2-oxide
CID 144952769
ethane;7-oxabicyclo[4.1.0]heptane
CID 91307792
sodium;hydride;7-oxabicyclo[4.1.0]heptane
CID 173104764
4,5-dicyclohexyl-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide
CID 58900627

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole 2-oxide?
The IUPAC name of 2-fluoro-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole 2-oxide (CID 163692288) is 2-fluoro-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole 2-oxide.
What is the SMILES notation for 2-fluoro-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole 2-oxide?
The canonical SMILES for 2-fluoro-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole 2-oxide is O=P1(F)OC2CCCCC2O1.
What is the InChIKey of 2-fluoro-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole 2-oxide?
The InChIKey is JTZISDIMEQINMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FO3P/c7-11(8)9-5-3-1-2-4-6(5)10-11/h5-6H,1-4H2.
What are the key properties of 2-fluoro-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole 2-oxide?
2-fluoro-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole 2-oxide has a molecular weight of 180.11 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole 2-oxide is sourced from PubChem (CID 163692288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).