(Z)-1-[bromo(fluoro)phosphoryl]oxyprop-1-ene

C3H5BrFO2P — CID 130422656

IUPAC(Z)-1-[bromo(fluoro)phosphoryl]oxyprop-1-ene
SMILESC/C=C\OP(=O)(F)Br
InChIInChI=1S/C3H5BrFO2P/c1-2-3-7-8(4,5)6/h2-3H,1H3/b3-2-
InChIKeyTUZGYHRQHHFWTP-IHWYPQMZSA-N
MW202.95 g/mol
LogP3.01
Rot. Bonds2

About (Z)-1-[bromo(fluoro)phosphoryl]oxyprop-1-ene

(Z)-1-[bromo(fluoro)phosphoryl]oxyprop-1-ene (PubChem CID 130422656) has the molecular formula C3H5BrFO2P and a molecular weight of 202.95 g/mol. Its IUPAC name is (Z)-1-[bromo(fluoro)phosphoryl]oxyprop-1-ene.

Molecular Properties

Compound Name(Z)-1-[bromo(fluoro)phosphoryl]oxyprop-1-ene
PubChem CID130422656
Molecular FormulaC3H5BrFO2P
Molecular Weight202.95 g/mol
Exact Mass201.92
IUPAC Name(Z)-1-[bromo(fluoro)phosphoryl]oxyprop-1-ene
SMILESC/C=C\OP(=O)(F)Br
InChIInChI=1S/C3H5BrFO2P/c1-2-3-7-8(4,5)6/h2-3H,1H3/b3-2-
InChIKeyTUZGYHRQHHFWTP-IHWYPQMZSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.95
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (Z)-1-[bromo(fluoro)phosphoryl]oxyprop-1-ene?
The IUPAC name of (Z)-1-[bromo(fluoro)phosphoryl]oxyprop-1-ene (CID 130422656) is (Z)-1-[bromo(fluoro)phosphoryl]oxyprop-1-ene.
What is the SMILES notation for (Z)-1-[bromo(fluoro)phosphoryl]oxyprop-1-ene?
The canonical SMILES for (Z)-1-[bromo(fluoro)phosphoryl]oxyprop-1-ene is C/C=C\OP(=O)(F)Br.
What is the InChIKey of (Z)-1-[bromo(fluoro)phosphoryl]oxyprop-1-ene?
The InChIKey is TUZGYHRQHHFWTP-IHWYPQMZSA-N. The full InChI is InChI=1S/C3H5BrFO2P/c1-2-3-7-8(4,5)6/h2-3H,1H3/b3-2-.
What are the key properties of (Z)-1-[bromo(fluoro)phosphoryl]oxyprop-1-ene?
(Z)-1-[bromo(fluoro)phosphoryl]oxyprop-1-ene has a molecular weight of 202.95 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[bromo(fluoro)phosphoryl]oxyprop-1-ene is sourced from PubChem (CID 130422656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).