chloro fluoro propan-2-yl phosphate

C3H7ClFO4P — CID 130422727

IUPACchloro fluoro propan-2-yl phosphate
SMILESCC(C)OP(=O)(OF)OCl
InChIInChI=1S/C3H7ClFO4P/c1-3(2)7-10(6,8-4)9-5/h3H,1-2H3
InChIKeyCIXFDRIXIBGWIU-UHFFFAOYSA-N
MW192.51 g/mol
LogP2.59
Rot. Bonds4

About chloro fluoro propan-2-yl phosphate

chloro fluoro propan-2-yl phosphate (PubChem CID 130422727) has the molecular formula C3H7ClFO4P and a molecular weight of 192.51 g/mol. Its IUPAC name is chloro fluoro propan-2-yl phosphate.

Molecular Properties

Compound Namechloro fluoro propan-2-yl phosphate
PubChem CID130422727
Molecular FormulaC3H7ClFO4P
Molecular Weight192.51 g/mol
Exact Mass191.98
IUPAC Namechloro fluoro propan-2-yl phosphate
SMILESCC(C)OP(=O)(OF)OCl
InChIInChI=1S/C3H7ClFO4P/c1-3(2)7-10(6,8-4)9-5/h3H,1-2H3
InChIKeyCIXFDRIXIBGWIU-UHFFFAOYSA-N
XLogP2.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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'}

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Related Compounds

Phosphoric acid, 1-methylethyl ester
CID 12691406
Diisopropylflurophosphate
CID 21226244
Isopropyl phosphorodichloridate
CID 536582
Methyl isopropyl-fluorophosphate
CID 20975450
Oxido-oxo-propan-2-yloxyphosphanium
CID 6383949
Isopropyl phosphanate
CID 10920462
Fluoro-oxo-propan-2-yloxyphosphanium
CID 6431918
Chloro ethyl fluoro phosphate
CID 21431910
Fluoro propan-2-yl hydrogen phosphate
CID 22590861
Chloro fluoro propyl phosphate
CID 87187188
Difluoro propan-2-yl phosphate
CID 87647761
2-[Chloro(fluoro)phosphoryl]oxypropane
CID 130422726

Frequently Asked Questions

What is the IUPAC name of chloro fluoro propan-2-yl phosphate?
The IUPAC name of chloro fluoro propan-2-yl phosphate (CID 130422727) is chloro fluoro propan-2-yl phosphate.
What is the SMILES notation for chloro fluoro propan-2-yl phosphate?
The canonical SMILES for chloro fluoro propan-2-yl phosphate is CC(C)OP(=O)(OF)OCl.
What is the InChIKey of chloro fluoro propan-2-yl phosphate?
The InChIKey is CIXFDRIXIBGWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7ClFO4P/c1-3(2)7-10(6,8-4)9-5/h3H,1-2H3.
What are the key properties of chloro fluoro propan-2-yl phosphate?
chloro fluoro propan-2-yl phosphate has a molecular weight of 192.51 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro fluoro propan-2-yl phosphate is sourced from PubChem (CID 130422727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).