(4,4,4-trifluoro-2-methylbut-1-enyl) dihydrogen phosphite

C5H8F3O3P — CID 175166017

IUPAC(4,4,4-trifluoro-2-methylbut-1-enyl) dihydrogen phosphite
SMILESCC(=COP(O)O)CC(F)(F)F
InChIInChI=1S/C5H8F3O3P/c1-4(2-5(6,7)8)3-11-12(9)10/h3,9-10H,2H2,1H3
InChIKeyDCEIDDIKFQLYGU-UHFFFAOYSA-N
MW204.08 g/mol
LogP2.07
Rot. Bonds3

About (4,4,4-trifluoro-2-methylbut-1-enyl) dihydrogen phosphite

(4,4,4-trifluoro-2-methylbut-1-enyl) dihydrogen phosphite (PubChem CID 175166017) has the molecular formula C5H8F3O3P and a molecular weight of 204.08 g/mol. Its IUPAC name is (4,4,4-trifluoro-2-methylbut-1-enyl) dihydrogen phosphite.

Molecular Properties

Compound Name(4,4,4-trifluoro-2-methylbut-1-enyl) dihydrogen phosphite
PubChem CID175166017
Molecular FormulaC5H8F3O3P
Molecular Weight204.08 g/mol
Exact Mass204.02
IUPAC Name(4,4,4-trifluoro-2-methylbut-1-enyl) dihydrogen phosphite
SMILESCC(=COP(O)O)CC(F)(F)F
InChIInChI=1S/C5H8F3O3P/c1-4(2-5(6,7)8)3-11-12(9)10/h3,9-10H,2H2,1H3
InChIKeyDCEIDDIKFQLYGU-UHFFFAOYSA-N
XLogP2.07
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.08
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4,4,4-trifluoro-2-methylbut-1-enyl) dihydrogen phosphite?
The IUPAC name of (4,4,4-trifluoro-2-methylbut-1-enyl) dihydrogen phosphite (CID 175166017) is (4,4,4-trifluoro-2-methylbut-1-enyl) dihydrogen phosphite.
What is the SMILES notation for (4,4,4-trifluoro-2-methylbut-1-enyl) dihydrogen phosphite?
The canonical SMILES for (4,4,4-trifluoro-2-methylbut-1-enyl) dihydrogen phosphite is CC(=COP(O)O)CC(F)(F)F.
What is the InChIKey of (4,4,4-trifluoro-2-methylbut-1-enyl) dihydrogen phosphite?
The InChIKey is DCEIDDIKFQLYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3O3P/c1-4(2-5(6,7)8)3-11-12(9)10/h3,9-10H,2H2,1H3.
What are the key properties of (4,4,4-trifluoro-2-methylbut-1-enyl) dihydrogen phosphite?
(4,4,4-trifluoro-2-methylbut-1-enyl) dihydrogen phosphite has a molecular weight of 204.08 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4,4-trifluoro-2-methylbut-1-enyl) dihydrogen phosphite is sourced from PubChem (CID 175166017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).