ethene;2-[fluoro(methyl)phosphoryl]oxypropane

C6H14FO2P — CID 174612672

IUPACethene;2-[fluoro(methyl)phosphoryl]oxypropane
SMILESC=C.CC(C)OP(C)(=O)F
InChIInChI=1S/C4H10FO2P.C2H4/c1-4(2)7-8(3,5)6;1-2/h4H,1-3H3;1-2H2
InChIKeyBXINVSWENUBAAU-UHFFFAOYSA-N
MW168.15 g/mol
LogP3.01
Rot. Bonds2

About ethene;2-[fluoro(methyl)phosphoryl]oxypropane

ethene;2-[fluoro(methyl)phosphoryl]oxypropane (PubChem CID 174612672) has the molecular formula C6H14FO2P and a molecular weight of 168.15 g/mol. Its IUPAC name is ethene;2-[fluoro(methyl)phosphoryl]oxypropane.

Molecular Properties

Compound Nameethene;2-[fluoro(methyl)phosphoryl]oxypropane
PubChem CID174612672
Molecular FormulaC6H14FO2P
Molecular Weight168.15 g/mol
Exact Mass168.07
IUPAC Nameethene;2-[fluoro(methyl)phosphoryl]oxypropane
SMILESC=C.CC(C)OP(C)(=O)F
InChIInChI=1S/C4H10FO2P.C2H4/c1-4(2)7-8(3,5)6;1-2/h4H,1-3H3;1-2H2
InChIKeyBXINVSWENUBAAU-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;2-[fluoro(methyl)phosphoryl]oxypropane?
The IUPAC name of ethene;2-[fluoro(methyl)phosphoryl]oxypropane (CID 174612672) is ethene;2-[fluoro(methyl)phosphoryl]oxypropane.
What is the SMILES notation for ethene;2-[fluoro(methyl)phosphoryl]oxypropane?
The canonical SMILES for ethene;2-[fluoro(methyl)phosphoryl]oxypropane is C=C.CC(C)OP(C)(=O)F.
What is the InChIKey of ethene;2-[fluoro(methyl)phosphoryl]oxypropane?
The InChIKey is BXINVSWENUBAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FO2P.C2H4/c1-4(2)7-8(3,5)6;1-2/h4H,1-3H3;1-2H2.
What are the key properties of ethene;2-[fluoro(methyl)phosphoryl]oxypropane?
ethene;2-[fluoro(methyl)phosphoryl]oxypropane has a molecular weight of 168.15 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-[fluoro(methyl)phosphoryl]oxypropane is sourced from PubChem (CID 174612672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).