bis(2,2-difluoroethyl) hydrogen phosphate;N-propan-2-ylpropan-2-amine

C10H22F4NO4P — CID 118073235

IUPACbis(2,2-difluoroethyl) hydrogen phosphate;N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)C.O=P(O)(OCC(F)F)OCC(F)F
InChIInChI=1S/C6H15N.C4H7F4O4P/c1-5(2)7-6(3)4;5-3(6)1-11-13(9,10)12-2-4(7)8/h5-7H,1-4H3;3-4H,1-2H2,(H,9,10)
InChIKeyKBQSCZGRAPICNS-UHFFFAOYSA-N
MW327.26 g/mol
LogP3.04
Rot. Bonds8

About bis(2,2-difluoroethyl) hydrogen phosphate;N-propan-2-ylpropan-2-amine

bis(2,2-difluoroethyl) hydrogen phosphate;N-propan-2-ylpropan-2-amine (PubChem CID 118073235) has the molecular formula C10H22F4NO4P and a molecular weight of 327.26 g/mol. Its IUPAC name is bis(2,2-difluoroethyl) hydrogen phosphate;N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Namebis(2,2-difluoroethyl) hydrogen phosphate;N-propan-2-ylpropan-2-amine
PubChem CID118073235
Molecular FormulaC10H22F4NO4P
Molecular Weight327.26 g/mol
Exact Mass327.12
IUPAC Namebis(2,2-difluoroethyl) hydrogen phosphate;N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)C.O=P(O)(OCC(F)F)OCC(F)F
InChIInChI=1S/C6H15N.C4H7F4O4P/c1-5(2)7-6(3)4;5-3(6)1-11-13(9,10)12-2-4(7)8/h5-7H,1-4H3;3-4H,1-2H2,(H,9,10)
InChIKeyKBQSCZGRAPICNS-UHFFFAOYSA-N
XLogP3.04
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2,3,3-trifluoropropyl) hydrogen phosphate
CID 159316002
2-hydroxybutyl 2-methylbutyl hydrogen phosphate
CID 59770810
2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate
CID 174163746
2-[2-[2-[2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate
CID 174163754
1-[2-acetyloxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl acetate
CID 21023155
fluoro(2-fluoropropoxy)phosphinic acid
CID 150074483
[hydroxy(2-methylpropoxy)phosphoryl]oxymethyl propanoate
CID 168729162
bis(2,2,2-trifluoroethyl) hydrogen phosphate;N-butan-2-ylbutan-2-amine
CID 171928293
2-[(difluorophosphorylamino)-fluorophosphoryl]oxy-1,1-difluoroethane
CID 164935703
bis[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl] hydrogen phosphate
CID 169438675
bis(2-cyclohexyloxypropyl) hydrogen phosphate
CID 140502091
bis(2-methylheptadecyl) hydrogen phosphate
CID 102070249

Frequently Asked Questions

What is the IUPAC name of bis(2,2-difluoroethyl) hydrogen phosphate;N-propan-2-ylpropan-2-amine?
The IUPAC name of bis(2,2-difluoroethyl) hydrogen phosphate;N-propan-2-ylpropan-2-amine (CID 118073235) is bis(2,2-difluoroethyl) hydrogen phosphate;N-propan-2-ylpropan-2-amine.
What is the SMILES notation for bis(2,2-difluoroethyl) hydrogen phosphate;N-propan-2-ylpropan-2-amine?
The canonical SMILES for bis(2,2-difluoroethyl) hydrogen phosphate;N-propan-2-ylpropan-2-amine is CC(C)NC(C)C.O=P(O)(OCC(F)F)OCC(F)F.
What is the InChIKey of bis(2,2-difluoroethyl) hydrogen phosphate;N-propan-2-ylpropan-2-amine?
The InChIKey is KBQSCZGRAPICNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C4H7F4O4P/c1-5(2)7-6(3)4;5-3(6)1-11-13(9,10)12-2-4(7)8/h5-7H,1-4H3;3-4H,1-2H2,(H,9,10).
What are the key properties of bis(2,2-difluoroethyl) hydrogen phosphate;N-propan-2-ylpropan-2-amine?
bis(2,2-difluoroethyl) hydrogen phosphate;N-propan-2-ylpropan-2-amine has a molecular weight of 327.26 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-difluoroethyl) hydrogen phosphate;N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 118073235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).