6-diethoxyphosphoryl-6-fluorohex-1-ene

C10H20FO3P — CID 102244411

IUPAC6-diethoxyphosphoryl-6-fluorohex-1-ene
SMILESC=CCCCC(F)P(=O)(OCC)OCC
InChIInChI=1S/C10H20FO3P/c1-4-7-8-9-10(11)15(12,13-5-2)14-6-3/h4,10H,1,5-9H2,2-3H3
InChIKeyQYTRKSQKFVFAME-UHFFFAOYSA-N
MW238.24 g/mol
LogP3.90
Rot. Bonds9

About 6-diethoxyphosphoryl-6-fluorohex-1-ene

6-diethoxyphosphoryl-6-fluorohex-1-ene (PubChem CID 102244411) has the molecular formula C10H20FO3P and a molecular weight of 238.24 g/mol. Its IUPAC name is 6-diethoxyphosphoryl-6-fluorohex-1-ene.

Molecular Properties

Compound Name6-diethoxyphosphoryl-6-fluorohex-1-ene
PubChem CID102244411
Molecular FormulaC10H20FO3P
Molecular Weight238.24 g/mol
Exact Mass238.11
IUPAC Name6-diethoxyphosphoryl-6-fluorohex-1-ene
SMILESC=CCCCC(F)P(=O)(OCC)OCC
InChIInChI=1S/C10H20FO3P/c1-4-7-8-9-10(11)15(12,13-5-2)14-6-3/h4,10H,1,5-9H2,2-3H3
InChIKeyQYTRKSQKFVFAME-UHFFFAOYSA-N
XLogP3.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl 3-butenylphosphonate
CID 10997850
((E)-1,1-Difluoro-hept-2-enyl)-phosphonic acid diethyl ester
CID 10539959
(Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene
CID 100929330
(E)-1-diethoxyphosphoryloct-1-ene
CID 11032225
(4-Pentenyl)phosphonic acid diethyl ester
CID 13462469
Diethyl undec-10-en-1-ylphosphonate
CID 23420214
(Z)-1-diethoxyphosphoryl-1-fluorobut-2-ene
CID 11042014
(E)-1-diethoxyphosphoryl-3-fluorohex-1-ene
CID 11322355
Dipropan-2-yl (1-fluorobut-3-en-1-yl)phosphonate
CID 13133774
(E)-1-diethoxyphosphoryl-3-fluorobut-1-ene
CID 13635635
(E)-1-diethoxyphosphoryl-1-fluoronon-2-ene
CID 15449246
O,O-diethyl (1-fluorobut-1-enyl)phosphonate
CID 129879750

Frequently Asked Questions

What is the IUPAC name of 6-diethoxyphosphoryl-6-fluorohex-1-ene?
The IUPAC name of 6-diethoxyphosphoryl-6-fluorohex-1-ene (CID 102244411) is 6-diethoxyphosphoryl-6-fluorohex-1-ene.
What is the SMILES notation for 6-diethoxyphosphoryl-6-fluorohex-1-ene?
The canonical SMILES for 6-diethoxyphosphoryl-6-fluorohex-1-ene is C=CCCCC(F)P(=O)(OCC)OCC.
What is the InChIKey of 6-diethoxyphosphoryl-6-fluorohex-1-ene?
The InChIKey is QYTRKSQKFVFAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FO3P/c1-4-7-8-9-10(11)15(12,13-5-2)14-6-3/h4,10H,1,5-9H2,2-3H3.
What are the key properties of 6-diethoxyphosphoryl-6-fluorohex-1-ene?
6-diethoxyphosphoryl-6-fluorohex-1-ene has a molecular weight of 238.24 g/mol, XLogP of 3.90, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diethoxyphosphoryl-6-fluorohex-1-ene is sourced from PubChem (CID 102244411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).