1-[ethyl(fluoro)phosphoryl]oxybutane

C6H14FO2P — CID 519551

IUPAC1-[ethyl(fluoro)phosphoryl]oxybutane
SMILESCCCCOP(=O)(F)CC
InChIInChI=1S/C6H14FO2P/c1-3-5-6-9-10(7,8)4-2/h3-6H2,1-2H3
InChIKeyUOJXJGNUFSBSJG-UHFFFAOYSA-N
MW168.15 g/mol
LogP2.99
Rot. Bonds5

About 1-[ethyl(fluoro)phosphoryl]oxybutane

1-[ethyl(fluoro)phosphoryl]oxybutane (PubChem CID 519551) has the molecular formula C6H14FO2P and a molecular weight of 168.15 g/mol. Its IUPAC name is 1-[ethyl(fluoro)phosphoryl]oxybutane.

Molecular Properties

Compound Name1-[ethyl(fluoro)phosphoryl]oxybutane
PubChem CID519551
Molecular FormulaC6H14FO2P
Molecular Weight168.15 g/mol
Exact Mass168.07
IUPAC Name1-[ethyl(fluoro)phosphoryl]oxybutane
SMILESCCCCOP(=O)(F)CC
InChIInChI=1S/C6H14FO2P/c1-3-5-6-9-10(7,8)4-2/h3-6H2,1-2H3
InChIKeyUOJXJGNUFSBSJG-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Sarin
CID 7871
Dibutyl butylphosphonate
CID 6539
Ethylsarin
CID 65566
Butyl methylphosphinate
CID 10877172
Dibutyl propylphosphonate
CID 99440
Butyl methylphosphonate
CID 12459492
Diethyl propylphosphonate
CID 140428
Diethyl (propan-2-yl)phosphonate
CID 586633
Ethyl hydrogen 1-propylphosphonate
CID 30858
Pentyl methylphosphonofluoridate
CID 518769
Propyl Ethylphosphonofluoridate
CID 520458
1-Methylpropyl methylphosphonofluoridate
CID 520723

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(fluoro)phosphoryl]oxybutane?
The IUPAC name of 1-[ethyl(fluoro)phosphoryl]oxybutane (CID 519551) is 1-[ethyl(fluoro)phosphoryl]oxybutane.
What is the SMILES notation for 1-[ethyl(fluoro)phosphoryl]oxybutane?
The canonical SMILES for 1-[ethyl(fluoro)phosphoryl]oxybutane is CCCCOP(=O)(F)CC.
What is the InChIKey of 1-[ethyl(fluoro)phosphoryl]oxybutane?
The InChIKey is UOJXJGNUFSBSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FO2P/c1-3-5-6-9-10(7,8)4-2/h3-6H2,1-2H3.
What are the key properties of 1-[ethyl(fluoro)phosphoryl]oxybutane?
1-[ethyl(fluoro)phosphoryl]oxybutane has a molecular weight of 168.15 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(fluoro)phosphoryl]oxybutane is sourced from PubChem (CID 519551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).