2,2,3-trifluoro-3-phosphorosooxybutane

C4H6F3O2P — CID 175415038

IUPAC2,2,3-trifluoro-3-phosphorosooxybutane
SMILESCC(F)(F)C(C)(F)OP=O
InChIInChI=1S/C4H6F3O2P/c1-3(5,6)4(2,7)9-10-8/h1-2H3
InChIKeyLSYBUCFBBCZENM-UHFFFAOYSA-N
MW174.06 g/mol
LogP2.55
Rot. Bonds3

About 2,2,3-trifluoro-3-phosphorosooxybutane

2,2,3-trifluoro-3-phosphorosooxybutane (PubChem CID 175415038) has the molecular formula C4H6F3O2P and a molecular weight of 174.06 g/mol. Its IUPAC name is 2,2,3-trifluoro-3-phosphorosooxybutane.

Molecular Properties

Compound Name2,2,3-trifluoro-3-phosphorosooxybutane
PubChem CID175415038
Molecular FormulaC4H6F3O2P
Molecular Weight174.06 g/mol
Exact Mass174.01
IUPAC Name2,2,3-trifluoro-3-phosphorosooxybutane
SMILESCC(F)(F)C(C)(F)OP=O
InChIInChI=1S/C4H6F3O2P/c1-3(5,6)4(2,7)9-10-8/h1-2H3
InChIKeyLSYBUCFBBCZENM-UHFFFAOYSA-N
XLogP2.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.06
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-3-phosphorosooxybutane?
The IUPAC name of 2,2,3-trifluoro-3-phosphorosooxybutane (CID 175415038) is 2,2,3-trifluoro-3-phosphorosooxybutane.
What is the SMILES notation for 2,2,3-trifluoro-3-phosphorosooxybutane?
The canonical SMILES for 2,2,3-trifluoro-3-phosphorosooxybutane is CC(F)(F)C(C)(F)OP=O.
What is the InChIKey of 2,2,3-trifluoro-3-phosphorosooxybutane?
The InChIKey is LSYBUCFBBCZENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3O2P/c1-3(5,6)4(2,7)9-10-8/h1-2H3.
What are the key properties of 2,2,3-trifluoro-3-phosphorosooxybutane?
2,2,3-trifluoro-3-phosphorosooxybutane has a molecular weight of 174.06 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-3-phosphorosooxybutane is sourced from PubChem (CID 175415038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).