4-chloro-2-diethoxyphosphoryl-1-fluorobenzene

C10H13ClFO3P — CID 87636958

IUPAC4-chloro-2-diethoxyphosphoryl-1-fluorobenzene
SMILESCCOP(=O)(OCC)c1cc(Cl)ccc1F
InChIInChI=1S/C10H13ClFO3P/c1-3-14-16(13,15-4-2)10-7-8(11)5-6-9(10)12/h5-7H,3-4H2,1-2H3
InChIKeyAZFMHUDDYCSOOQ-UHFFFAOYSA-N
MW266.64 g/mol
LogP3.37
Rot. Bonds5

About 4-chloro-2-diethoxyphosphoryl-1-fluorobenzene

4-chloro-2-diethoxyphosphoryl-1-fluorobenzene (PubChem CID 87636958) has the molecular formula C10H13ClFO3P and a molecular weight of 266.64 g/mol. Its IUPAC name is 4-chloro-2-diethoxyphosphoryl-1-fluorobenzene.

Molecular Properties

Compound Name4-chloro-2-diethoxyphosphoryl-1-fluorobenzene
PubChem CID87636958
Molecular FormulaC10H13ClFO3P
Molecular Weight266.64 g/mol
Exact Mass266.03
IUPAC Name4-chloro-2-diethoxyphosphoryl-1-fluorobenzene
SMILESCCOP(=O)(OCC)c1cc(Cl)ccc1F
InChIInChI=1S/C10H13ClFO3P/c1-3-14-16(13,15-4-2)10-7-8(11)5-6-9(10)12/h5-7H,3-4H2,1-2H3
InChIKeyAZFMHUDDYCSOOQ-UHFFFAOYSA-N
XLogP3.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.64
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-diethoxyphosphoryl-1-fluorobenzene?
The IUPAC name of 4-chloro-2-diethoxyphosphoryl-1-fluorobenzene (CID 87636958) is 4-chloro-2-diethoxyphosphoryl-1-fluorobenzene.
What is the SMILES notation for 4-chloro-2-diethoxyphosphoryl-1-fluorobenzene?
The canonical SMILES for 4-chloro-2-diethoxyphosphoryl-1-fluorobenzene is CCOP(=O)(OCC)c1cc(Cl)ccc1F.
What is the InChIKey of 4-chloro-2-diethoxyphosphoryl-1-fluorobenzene?
The InChIKey is AZFMHUDDYCSOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFO3P/c1-3-14-16(13,15-4-2)10-7-8(11)5-6-9(10)12/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-chloro-2-diethoxyphosphoryl-1-fluorobenzene?
4-chloro-2-diethoxyphosphoryl-1-fluorobenzene has a molecular weight of 266.64 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-diethoxyphosphoryl-1-fluorobenzene is sourced from PubChem (CID 87636958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).