2-[fluoro(methyl)phosphoryl]oxypropane

C4H10FO2P — CID 7871

IUPAC2-[fluoro(methyl)phosphoryl]oxypropane
SMILESCC(C)OP(C)(=O)F
InChIInChI=1S/C4H10FO2P/c1-4(2)7-8(3,5)6/h4H,1-3H3
InChIKeyDYAHQFWOVKZOOW-UHFFFAOYSA-N
MW140.09 g/mol
LogP2.20
Rot. Bonds2

About 2-[fluoro(methyl)phosphoryl]oxypropane

2-[fluoro(methyl)phosphoryl]oxypropane (PubChem CID 7871) has the molecular formula C4H10FO2P and a molecular weight of 140.09 g/mol. Its IUPAC name is 2-[fluoro(methyl)phosphoryl]oxypropane.

Molecular Properties

Compound Name2-[fluoro(methyl)phosphoryl]oxypropane
PubChem CID7871
Molecular FormulaC4H10FO2P
Molecular Weight140.09 g/mol
Exact Mass140.04
IUPAC Name2-[fluoro(methyl)phosphoryl]oxypropane
SMILESCC(C)OP(C)(=O)F
InChIInChI=1S/C4H10FO2P/c1-4(2)7-8(3,5)6/h4H,1-3H3
InChIKeyDYAHQFWOVKZOOW-UHFFFAOYSA-N
XLogP2.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.09
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[fluoro(methyl)phosphoryl]oxypropane 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

Diisopropyl Fluorophosphate
CID 5936
Diisopropyl Methylphosphonate
CID 3073
Isopropyl methylphosphonate
CID 15778
Diisopropyl phosphite
CID 3072
Ethylsarin
CID 65566
2-Propyl methylphosphonochloridate
CID 102124
O,O-Diisopropyl phosphonate
CID 6327350
Diisopropyl Phosphorochloridate
CID 164989
Propyl Ethylphosphonofluoridate
CID 520458
1-Methylpropyl methylphosphonofluoridate
CID 520723
Butyl methylphosphonofluoridate
CID 520724
Ethyl ethylphosphonofluoridate
CID 522151

Frequently Asked Questions

What is the IUPAC name of 2-[fluoro(methyl)phosphoryl]oxypropane?
The IUPAC name of 2-[fluoro(methyl)phosphoryl]oxypropane (CID 7871) is 2-[fluoro(methyl)phosphoryl]oxypropane.
What is the SMILES notation for 2-[fluoro(methyl)phosphoryl]oxypropane?
The canonical SMILES for 2-[fluoro(methyl)phosphoryl]oxypropane is CC(C)OP(C)(=O)F.
What is the InChIKey of 2-[fluoro(methyl)phosphoryl]oxypropane?
The InChIKey is DYAHQFWOVKZOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FO2P/c1-4(2)7-8(3,5)6/h4H,1-3H3.
What are the key properties of 2-[fluoro(methyl)phosphoryl]oxypropane?
2-[fluoro(methyl)phosphoryl]oxypropane has a molecular weight of 140.09 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro(methyl)phosphoryl]oxypropane is sourced from PubChem (CID 7871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).