3-(trifluoromethoxy)propyl dihydrogen phosphite

C4H8F3O4P — CID 175202397

IUPAC3-(trifluoromethoxy)propyl dihydrogen phosphite
SMILESOP(O)OCCCOC(F)(F)F
InChIInChI=1S/C4H8F3O4P/c5-4(6,7)10-2-1-3-11-12(8)9/h8-9H,1-3H2
InChIKeySUQDTKHUOYIXQK-UHFFFAOYSA-N
MW208.07 g/mol
LogP1.14
Rot. Bonds5

About 3-(trifluoromethoxy)propyl dihydrogen phosphite

3-(trifluoromethoxy)propyl dihydrogen phosphite (PubChem CID 175202397) has the molecular formula C4H8F3O4P and a molecular weight of 208.07 g/mol. Its IUPAC name is 3-(trifluoromethoxy)propyl dihydrogen phosphite.

Molecular Properties

Compound Name3-(trifluoromethoxy)propyl dihydrogen phosphite
PubChem CID175202397
Molecular FormulaC4H8F3O4P
Molecular Weight208.07 g/mol
Exact Mass208.01
IUPAC Name3-(trifluoromethoxy)propyl dihydrogen phosphite
SMILESOP(O)OCCCOC(F)(F)F
InChIInChI=1S/C4H8F3O4P/c5-4(6,7)10-2-1-3-11-12(8)9/h8-9H,1-3H2
InChIKeySUQDTKHUOYIXQK-UHFFFAOYSA-N
XLogP1.14
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.07
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(trifluoromethoxy)ethyl dihydrogen phosphite
CID 175196611
3-(trifluoromethoxy)propane-1-sulfonic acid
CID 152623233
3-(trifluoromethoxy)propyl trifluoromethanesulfonate
CID 75406356
1-bromo-2-(trifluoromethoxy)ethane
CID 12846025
1,1,1,2,2-pentafluoro-5-(trifluoromethoxy)pentane
CID 98454426
pentyl dihydrogen phosphite;zinc
CID 88839337
12-chlorododecyl dihydrogen phosphite
CID 154205511
2-[2-[2-[2-[2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 87962510
sodium;hydride;10-(trifluoromethoxy)decane-1-sulfonic acid
CID 173066586
azane;hexyl dihydrogen phosphite
CID 173357133
1-fluoro-2-(trifluoromethoxy)ethane
CID 11137203
1-butoxy-4-(trifluoromethoxy)butane
CID 152923004

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethoxy)propyl dihydrogen phosphite?
The IUPAC name of 3-(trifluoromethoxy)propyl dihydrogen phosphite (CID 175202397) is 3-(trifluoromethoxy)propyl dihydrogen phosphite.
What is the SMILES notation for 3-(trifluoromethoxy)propyl dihydrogen phosphite?
The canonical SMILES for 3-(trifluoromethoxy)propyl dihydrogen phosphite is OP(O)OCCCOC(F)(F)F.
What is the InChIKey of 3-(trifluoromethoxy)propyl dihydrogen phosphite?
The InChIKey is SUQDTKHUOYIXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3O4P/c5-4(6,7)10-2-1-3-11-12(8)9/h8-9H,1-3H2.
What are the key properties of 3-(trifluoromethoxy)propyl dihydrogen phosphite?
3-(trifluoromethoxy)propyl dihydrogen phosphite has a molecular weight of 208.07 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethoxy)propyl dihydrogen phosphite is sourced from PubChem (CID 175202397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).