2-fluoro-4-methyl-1,3,2-dioxaphosphinane

C4H8FO2P — CID 12730251

IUPAC2-fluoro-4-methyl-1,3,2-dioxaphosphinane
SMILESCC1CCOP(F)O1
InChIInChI=1S/C4H8FO2P/c1-4-2-3-6-8(5)7-4/h4H,2-3H2,1H3
InChIKeyFNWUSPVZXWWVAW-UHFFFAOYSA-N
MW138.08 g/mol
LogP2.01
Rot. Bonds

About 2-fluoro-4-methyl-1,3,2-dioxaphosphinane

2-fluoro-4-methyl-1,3,2-dioxaphosphinane (PubChem CID 12730251) has the molecular formula C4H8FO2P and a molecular weight of 138.08 g/mol. Its IUPAC name is 2-fluoro-4-methyl-1,3,2-dioxaphosphinane.

Molecular Properties

Compound Name2-fluoro-4-methyl-1,3,2-dioxaphosphinane
PubChem CID12730251
Molecular FormulaC4H8FO2P
Molecular Weight138.08 g/mol
Exact Mass138.02
IUPAC Name2-fluoro-4-methyl-1,3,2-dioxaphosphinane
SMILESCC1CCOP(F)O1
InChIInChI=1S/C4H8FO2P/c1-4-2-3-6-8(5)7-4/h4H,2-3H2,1H3
InChIKeyFNWUSPVZXWWVAW-UHFFFAOYSA-N
XLogP2.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.08
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3,2-Dioxaphosphorinane, 2-chloro-4-methyl-
CID 138736
2-Methoxy-4-methyl-1,3,2-dioxaphosphorinane
CID 141852
Fluoro-di(propan-2-yloxy)phosphane
CID 14381851
4-Methyl-1,3,2-dioxaphosphorinane
CID 16694820
2-Methoxy-4,6-dimethyl-1,3,2-dioxaphosphinane
CID 139069
2-Fluoro-4,6-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 12729221
2,4-Dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 132073990
(4s)-2-Methoxy-4-methyl-1,3,2-dioxaphosphorinane
CID 129881553
4-Methyl-2-oxo-1,3,2-dioxaphosphinan-2-ium
CID 12754322
2-Ethoxy-4-methyl-1,3,2-dioxaphosphinane
CID 12911267
Propyl 1-methyltrimethylene phosphite
CID 91988865
(2R,4S)-2-Fluoro-4-methyl-[1,3,2]dioxaphosphinane 2-sulfide
CID 23416230

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-1,3,2-dioxaphosphinane?
The IUPAC name of 2-fluoro-4-methyl-1,3,2-dioxaphosphinane (CID 12730251) is 2-fluoro-4-methyl-1,3,2-dioxaphosphinane.
What is the SMILES notation for 2-fluoro-4-methyl-1,3,2-dioxaphosphinane?
The canonical SMILES for 2-fluoro-4-methyl-1,3,2-dioxaphosphinane is CC1CCOP(F)O1.
What is the InChIKey of 2-fluoro-4-methyl-1,3,2-dioxaphosphinane?
The InChIKey is FNWUSPVZXWWVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FO2P/c1-4-2-3-6-8(5)7-4/h4H,2-3H2,1H3.
What are the key properties of 2-fluoro-4-methyl-1,3,2-dioxaphosphinane?
2-fluoro-4-methyl-1,3,2-dioxaphosphinane has a molecular weight of 138.08 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-1,3,2-dioxaphosphinane is sourced from PubChem (CID 12730251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).