chloro fluoro propyl phosphate

C3H7ClFO4P — CID 87187188

IUPACchloro fluoro propyl phosphate
SMILESCCCOP(=O)(OF)OCl
InChIInChI=1S/C3H7ClFO4P/c1-2-3-7-10(6,8-4)9-5/h2-3H2,1H3
InChIKeyNTSIFDCEOKEDAN-UHFFFAOYSA-N
MW192.51 g/mol
LogP2.59
Rot. Bonds5

About chloro fluoro propyl phosphate

chloro fluoro propyl phosphate (PubChem CID 87187188) has the molecular formula C3H7ClFO4P and a molecular weight of 192.51 g/mol. Its IUPAC name is chloro fluoro propyl phosphate.

Molecular Properties

Compound Namechloro fluoro propyl phosphate
PubChem CID87187188
Molecular FormulaC3H7ClFO4P
Molecular Weight192.51 g/mol
Exact Mass191.98
IUPAC Namechloro fluoro propyl phosphate
SMILESCCCOP(=O)(OF)OCl
InChIInChI=1S/C3H7ClFO4P/c1-2-3-7-10(6,8-4)9-5/h2-3H2,1H3
InChIKeyNTSIFDCEOKEDAN-UHFFFAOYSA-N
XLogP2.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.51
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze chloro fluoro propyl phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl phosphate(2-)
CID 12691392
Ethyl fluoro methyl phosphate
CID 87128497
Phosphorodichloridic acid, propyl ester
CID 517771
Ethyl phosphorochloridofluoridate
CID 23416048
Phosphopropanol
CID 6368229
Propylphosphanate
CID 19931623
Chloro-methyl-ethyl-phosphate
CID 20555758
Magnesium propyl phosphate
CID 87616783
CID 12691394
CID 12691394
Ethyl difluoro phosphate
CID 20507473
Chloro ethyl fluoro phosphate
CID 21431910
Fluoro dipropyl phosphate
CID 87187075

Frequently Asked Questions

What is the IUPAC name of chloro fluoro propyl phosphate?
The IUPAC name of chloro fluoro propyl phosphate (CID 87187188) is chloro fluoro propyl phosphate.
What is the SMILES notation for chloro fluoro propyl phosphate?
The canonical SMILES for chloro fluoro propyl phosphate is CCCOP(=O)(OF)OCl.
What is the InChIKey of chloro fluoro propyl phosphate?
The InChIKey is NTSIFDCEOKEDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7ClFO4P/c1-2-3-7-10(6,8-4)9-5/h2-3H2,1H3.
What are the key properties of chloro fluoro propyl phosphate?
chloro fluoro propyl phosphate has a molecular weight of 192.51 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro fluoro propyl phosphate is sourced from PubChem (CID 87187188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).