2-fluoro-4,6-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide

C5H10FO3P — CID 12729221

IUPAC2-fluoro-4,6-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCC1CC(C)OP(=O)(F)O1
InChIInChI=1S/C5H10FO3P/c1-4-3-5(2)9-10(6,7)8-4/h4-5H,3H2,1-2H3
InChIKeyZWYOJOLKAXSWCE-UHFFFAOYSA-N
MW168.10 g/mol
LogP2.28
Rot. Bonds

About 2-fluoro-4,6-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide

2-fluoro-4,6-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 12729221) has the molecular formula C5H10FO3P and a molecular weight of 168.10 g/mol. Its IUPAC name is 2-fluoro-4,6-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name2-fluoro-4,6-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID12729221
Molecular FormulaC5H10FO3P
Molecular Weight168.10 g/mol
Exact Mass168.04
IUPAC Name2-fluoro-4,6-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCC1CC(C)OP(=O)(F)O1
InChIInChI=1S/C5H10FO3P/c1-4-3-5(2)9-10(6,7)8-4/h4-5H,3H2,1-2H3
InChIKeyZWYOJOLKAXSWCE-UHFFFAOYSA-N
XLogP2.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.10
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoro-4,6-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4R,6R)-4,6-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]propan-2-one
CID 10465562
2-fluoro-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole 2-oxide
CID 163692288
(2S,3R,5S)-2-methoxy-5-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol
CID 23420977
(4R,6S)-4,6-dimethyl-1,3,2-dioxathiane 2-oxide
CID 10920682
(2R,4R)-2-bromo-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 23419061
2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]acetaldehyde
CID 14174444
4-methyl-2-methylselanyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 13204288
2-ethyl-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 58422993
(2S,4S)-4-methyl-2-(trifluoromethylsulfanyl)-1,3,2λ5-dioxaphosphinane 2-oxide
CID 23416371
2-iodo-4,6-dimethyl-1,3-dioxane
CID 129213139
2-chloro-2,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium
CID 101355501
2-chloro-4,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 23261982

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,6-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of 2-fluoro-4,6-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide (CID 12729221) is 2-fluoro-4,6-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 2-fluoro-4,6-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for 2-fluoro-4,6-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide is CC1CC(C)OP(=O)(F)O1.
What is the InChIKey of 2-fluoro-4,6-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is ZWYOJOLKAXSWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FO3P/c1-4-3-5(2)9-10(6,7)8-4/h4-5H,3H2,1-2H3.
What are the key properties of 2-fluoro-4,6-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
2-fluoro-4,6-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 168.10 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,6-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 12729221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).