2-diethoxyphosphoryl-1,1-difluoro-2-methylpropane

C8H17F2O3P — CID 151036446

IUPAC2-diethoxyphosphoryl-1,1-difluoro-2-methylpropane
SMILESCCOP(=O)(OCC)C(C)(C)C(F)F
InChIInChI=1S/C8H17F2O3P/c1-5-12-14(11,13-6-2)8(3,4)7(9)10/h7H,5-6H2,1-4H3
InChIKeyMBDYONYTQDZFSP-UHFFFAOYSA-N
MW230.19 g/mol
LogP3.30
Rot. Bonds6

About 2-diethoxyphosphoryl-1,1-difluoro-2-methylpropane

2-diethoxyphosphoryl-1,1-difluoro-2-methylpropane (PubChem CID 151036446) has the molecular formula C8H17F2O3P and a molecular weight of 230.19 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-1,1-difluoro-2-methylpropane.

Molecular Properties

Compound Name2-diethoxyphosphoryl-1,1-difluoro-2-methylpropane
PubChem CID151036446
Molecular FormulaC8H17F2O3P
Molecular Weight230.19 g/mol
Exact Mass230.09
IUPAC Name2-diethoxyphosphoryl-1,1-difluoro-2-methylpropane
SMILESCCOP(=O)(OCC)C(C)(C)C(F)F
InChIInChI=1S/C8H17F2O3P/c1-5-12-14(11,13-6-2)8(3,4)7(9)10/h7H,5-6H2,1-4H3
InChIKeyMBDYONYTQDZFSP-UHFFFAOYSA-N
XLogP3.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phosphonic acid, (difluoromethyl)-, diethyl ester
CID 2758305
Trifluoromethylphosphonic acid diethyl ester
CID 12503717
Bis(2-methylpropyl) (trifluoromethyl)phosphonate
CID 13141507
Tetraethyl Difluoromethylenebisphosphonate
CID 11823499
1-[Butoxy(trifluoromethyl)phosphoryl]oxybutane
CID 15750796
1-Diethoxyphosphoryl-1,1-difluoroethane
CID 13736768
[3-(Diethoxy-phosphoryl)-1,1,2,2,3,3-hexafluoro-propyl]-phosphonic acid diethyl ester
CID 9979741
[4-(Diethoxy-phosphoryl)-1,1,2,2,3,3,4,4-octafluoro-butyl]-phosphonic acid diethyl ester
CID 10096428
1,1-Difluorohexylphosphonic acid diethyl ester
CID 10445215
Diethyl tert-butylphosphonate
CID 88313
o-Butyl ethyl(2,2,2-trifluoroethyl)phosphinate
CID 6424812
Phosphoric acid, dibutyl (2,2,2-trifluoroethyl) ester
CID 6424864

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-1,1-difluoro-2-methylpropane?
The IUPAC name of 2-diethoxyphosphoryl-1,1-difluoro-2-methylpropane (CID 151036446) is 2-diethoxyphosphoryl-1,1-difluoro-2-methylpropane.
What is the SMILES notation for 2-diethoxyphosphoryl-1,1-difluoro-2-methylpropane?
The canonical SMILES for 2-diethoxyphosphoryl-1,1-difluoro-2-methylpropane is CCOP(=O)(OCC)C(C)(C)C(F)F.
What is the InChIKey of 2-diethoxyphosphoryl-1,1-difluoro-2-methylpropane?
The InChIKey is MBDYONYTQDZFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2O3P/c1-5-12-14(11,13-6-2)8(3,4)7(9)10/h7H,5-6H2,1-4H3.
What are the key properties of 2-diethoxyphosphoryl-1,1-difluoro-2-methylpropane?
2-diethoxyphosphoryl-1,1-difluoro-2-methylpropane has a molecular weight of 230.19 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-1,1-difluoro-2-methylpropane is sourced from PubChem (CID 151036446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).