2-dimethylphosphoryloxy-1,1,1-trifluoropropane

C5H10F3O2P — CID 87666896

IUPAC2-dimethylphosphoryloxy-1,1,1-trifluoropropane
SMILESCC(OP(C)(C)=O)C(F)(F)F
InChIInChI=1S/C5H10F3O2P/c1-4(5(6,7)8)10-11(2,3)9/h4H,1-3H3
InChIKeyHRGKYWWEFPLOLJ-UHFFFAOYSA-N
MW190.10 g/mol
LogP2.49
Rot. Bonds2

About 2-dimethylphosphoryloxy-1,1,1-trifluoropropane

2-dimethylphosphoryloxy-1,1,1-trifluoropropane (PubChem CID 87666896) has the molecular formula C5H10F3O2P and a molecular weight of 190.10 g/mol. Its IUPAC name is 2-dimethylphosphoryloxy-1,1,1-trifluoropropane.

Molecular Properties

Compound Name2-dimethylphosphoryloxy-1,1,1-trifluoropropane
PubChem CID87666896
Molecular FormulaC5H10F3O2P
Molecular Weight190.10 g/mol
Exact Mass190.04
IUPAC Name2-dimethylphosphoryloxy-1,1,1-trifluoropropane
SMILESCC(OP(C)(C)=O)C(F)(F)F
InChIInChI=1S/C5H10F3O2P/c1-4(5(6,7)8)10-11(2,3)9/h4H,1-3H3
InChIKeyHRGKYWWEFPLOLJ-UHFFFAOYSA-N
XLogP2.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.10
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
Phosphonic acid, (fluoromethyl)-, diisopropyl ester
CID 176956
Phosphonic acid, (bromodifluoromethyl)-, bis(1-methylethyl) ester
CID 11044628
1-Diethoxyphosphoryl-1,1-difluoroethane
CID 13736768
(Difluoro-iodo-methyl)-phosphonic acid diisopropyl ester
CID 10315301
Di(propan-2-yloxy)phosphoryl-bis(trifluoromethyl)phosphane
CID 13179223
Diisopropyl difluoromethylphosphonate
CID 2780747
o-Ethyl ethyl(2,2,2-trifluoroethyl)phosphinate
CID 6421638
1-Diethoxyphosphoryl-1,1-difluoropropane
CID 10013537
Diethyl 1,1,1,3,3,3-hexafluoropropan-2-yl phosphate
CID 12513073
1,1,1,3,3,3-Hexafluoro-2-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(methyl)phosphoryl]oxypropane
CID 13700715

Frequently Asked Questions

What is the IUPAC name of 2-dimethylphosphoryloxy-1,1,1-trifluoropropane?
The IUPAC name of 2-dimethylphosphoryloxy-1,1,1-trifluoropropane (CID 87666896) is 2-dimethylphosphoryloxy-1,1,1-trifluoropropane.
What is the SMILES notation for 2-dimethylphosphoryloxy-1,1,1-trifluoropropane?
The canonical SMILES for 2-dimethylphosphoryloxy-1,1,1-trifluoropropane is CC(OP(C)(C)=O)C(F)(F)F.
What is the InChIKey of 2-dimethylphosphoryloxy-1,1,1-trifluoropropane?
The InChIKey is HRGKYWWEFPLOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3O2P/c1-4(5(6,7)8)10-11(2,3)9/h4H,1-3H3.
What are the key properties of 2-dimethylphosphoryloxy-1,1,1-trifluoropropane?
2-dimethylphosphoryloxy-1,1,1-trifluoropropane has a molecular weight of 190.10 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphoryloxy-1,1,1-trifluoropropane is sourced from PubChem (CID 87666896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).