Sarin

C4H10FO2P — CID 7871

IUPAC2-[fluoro(methyl)phosphoryl]oxypropane
SMILESCC(C)OP(=O)(C)F
InChIInChI=1S/C4H10FO2P/c1-4(2)7-8(3,5)6/h4H,1-3H3
InChIKeyDYAHQFWOVKZOOW-UHFFFAOYSA-N
MW140.09 g/mol
LogP0.80
Rot. Bonds2

About Sarin

Sarin (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 NameSarin
PubChem CID7871
Molecular FormulaC4H10FO2P
Molecular Weight140.09 g/mol
Exact Mass140.04
IUPAC Name2-[fluoro(methyl)phosphoryl]oxypropane
SMILESCC(C)OP(=O)(C)F
InChIInChI=1S/C4H10FO2P/c1-4(2)7-8(3,5)6/h4H,1-3H3
InChIKeyDYAHQFWOVKZOOW-UHFFFAOYSA-N
XLogP0.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity113

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.09
LogP ≤ 50.80
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

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 Sarin?
The IUPAC name of Sarin (CID 7871) is 2-[fluoro(methyl)phosphoryl]oxypropane.
What is the SMILES notation for Sarin?
The canonical SMILES for Sarin is CC(C)OP(=O)(C)F.
What is the InChIKey of Sarin?
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 Sarin?
Sarin has a molecular weight of 140.09 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Sarin is sourced from PubChem (CID 7871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).