difluoro-[3-prop-2-ynoxy-2,2-bis(prop-2-ynoxymethyl)propoxy]phosphane

C14H17F2O4P — CID 166520975

IUPACdifluoro-[3-prop-2-ynoxy-2,2-bis(prop-2-ynoxymethyl)propoxy]phosphane
SMILESC#CCOCC(COCC#C)(COCC#C)COP(F)F
InChIInChI=1S/C14H17F2O4P/c1-4-7-17-10-14(11-18-8-5-2,12-19-9-6-3)13-20-21(15)16/h1-3H,7-13H2
InChIKeyBNGTZGIPRYHUES-UHFFFAOYSA-N
MW318.26 g/mol
LogP2.10
Rot. Bonds12

About difluoro-[3-prop-2-ynoxy-2,2-bis(prop-2-ynoxymethyl)propoxy]phosphane

difluoro-[3-prop-2-ynoxy-2,2-bis(prop-2-ynoxymethyl)propoxy]phosphane (PubChem CID 166520975) has the molecular formula C14H17F2O4P and a molecular weight of 318.26 g/mol. Its IUPAC name is difluoro-[3-prop-2-ynoxy-2,2-bis(prop-2-ynoxymethyl)propoxy]phosphane.

Molecular Properties

Compound Namedifluoro-[3-prop-2-ynoxy-2,2-bis(prop-2-ynoxymethyl)propoxy]phosphane
PubChem CID166520975
Molecular FormulaC14H17F2O4P
Molecular Weight318.26 g/mol
Exact Mass318.08
IUPAC Namedifluoro-[3-prop-2-ynoxy-2,2-bis(prop-2-ynoxymethyl)propoxy]phosphane
SMILESC#CCOCC(COCC#C)(COCC#C)COP(F)F
InChIInChI=1S/C14H17F2O4P/c1-4-7-17-10-14(11-18-8-5-2,12-19-9-6-3)13-20-21(15)16/h1-3H,7-13H2
InChIKeyBNGTZGIPRYHUES-UHFFFAOYSA-N
XLogP2.10
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxymethyl)-2-(prop-2-ynoxymethyl)propane-1,3-diol
CID 87656113
2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(hydroxymethyl)-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butan-1-ol
CID 162453886
5,5-bis(prop-2-ynoxymethyl)nona-1,8-diyne-4,6-diol
CID 154997620
2-methyl-1,3-bis[2-(2-prop-2-ynoxyethoxy)ethoxy]-2-[2-(2-prop-2-ynoxyethoxy)ethoxymethyl]propane
CID 25199391
3-[3-[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]-2,2-bis[[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]methyl]propoxy]-N-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 167313088
1,3-bis(prop-2-ynoxy)-2-(prop-2-ynoxymethyl)propan-2-amine;2-bromoacetamide
CID 87099156
2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanol
CID 11506589
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 156597060
3-[2-(2-(18F)fluoroethoxy)ethoxy]prop-1-yne
CID 16724484
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 130317798
2-methyl-1-prop-2-ynoxyhept-6-yn-2-amine
CID 139381822
difluoro-[1-(2-methylbut-3-en-2-yloxy)-3-prop-2-ynoxypropan-2-yl]oxyphosphane
CID 166521051

Frequently Asked Questions

What is the IUPAC name of difluoro-[3-prop-2-ynoxy-2,2-bis(prop-2-ynoxymethyl)propoxy]phosphane?
The IUPAC name of difluoro-[3-prop-2-ynoxy-2,2-bis(prop-2-ynoxymethyl)propoxy]phosphane (CID 166520975) is difluoro-[3-prop-2-ynoxy-2,2-bis(prop-2-ynoxymethyl)propoxy]phosphane.
What is the SMILES notation for difluoro-[3-prop-2-ynoxy-2,2-bis(prop-2-ynoxymethyl)propoxy]phosphane?
The canonical SMILES for difluoro-[3-prop-2-ynoxy-2,2-bis(prop-2-ynoxymethyl)propoxy]phosphane is C#CCOCC(COCC#C)(COCC#C)COP(F)F.
What is the InChIKey of difluoro-[3-prop-2-ynoxy-2,2-bis(prop-2-ynoxymethyl)propoxy]phosphane?
The InChIKey is BNGTZGIPRYHUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2O4P/c1-4-7-17-10-14(11-18-8-5-2,12-19-9-6-3)13-20-21(15)16/h1-3H,7-13H2.
What are the key properties of difluoro-[3-prop-2-ynoxy-2,2-bis(prop-2-ynoxymethyl)propoxy]phosphane?
difluoro-[3-prop-2-ynoxy-2,2-bis(prop-2-ynoxymethyl)propoxy]phosphane has a molecular weight of 318.26 g/mol, XLogP of 2.10, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-[3-prop-2-ynoxy-2,2-bis(prop-2-ynoxymethyl)propoxy]phosphane is sourced from PubChem (CID 166520975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).