2-chloro-2-[fluoro(propan-2-yloxy)phosphoryl]propane

C6H13ClFO2P — CID 151495462

IUPAC2-chloro-2-[fluoro(propan-2-yloxy)phosphoryl]propane
SMILESCC(C)OP(=O)(F)C(C)(C)Cl
InChIInChI=1S/C6H13ClFO2P/c1-5(2)10-11(8,9)6(3,4)7/h5H,1-4H3
InChIKeyPPIFGGWJTLASBD-UHFFFAOYSA-N
MW202.59 g/mol
LogP3.55
Rot. Bonds3

About 2-chloro-2-[fluoro(propan-2-yloxy)phosphoryl]propane

2-chloro-2-[fluoro(propan-2-yloxy)phosphoryl]propane (PubChem CID 151495462) has the molecular formula C6H13ClFO2P and a molecular weight of 202.59 g/mol. Its IUPAC name is 2-chloro-2-[fluoro(propan-2-yloxy)phosphoryl]propane.

Molecular Properties

Compound Name2-chloro-2-[fluoro(propan-2-yloxy)phosphoryl]propane
PubChem CID151495462
Molecular FormulaC6H13ClFO2P
Molecular Weight202.59 g/mol
Exact Mass202.03
IUPAC Name2-chloro-2-[fluoro(propan-2-yloxy)phosphoryl]propane
SMILESCC(C)OP(=O)(F)C(C)(C)Cl
InChIInChI=1S/C6H13ClFO2P/c1-5(2)10-11(8,9)6(3,4)7/h5H,1-4H3
InChIKeyPPIFGGWJTLASBD-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.59
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 175885039
CID 175885039
ethene;2-[fluoro(methyl)phosphoryl]oxypropane
CID 174612672
3-chloro-1-di(propan-2-yloxy)phosphoryl-3,3-difluoroprop-1-yne
CID 134922782
trisodium;[dichloro(phosphonato)methyl]-propan-2-yloxyphosphinate
CID 15786046
fluoro(methyl)phosphinic acid;2-[fluoro(methyl)phosphoryl]oxypropane
CID 87088477
(3R)-3-[chloro(methyl)phosphoryl]oxy-2,2-dimethylbutane
CID 129373323
2-methyl-2-[methyl(propan-2-yloxy)phosphoryl]oxypropane
CID 171057571
2-dimethylphosphoryloxypropane
CID 12572720
difluoro propan-2-yl phosphate
CID 87647761
2-[[(1R)-1-chloro-1-prop-2-enoxyethyl]-propan-2-yloxyphosphoryl]oxypropane
CID 129387352
2-[(chloroamino)-propan-2-yloxyphosphoryl]oxypropane
CID 175183070
copper bis(dipropan-2-yl phosphate)
CID 159825108

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-[fluoro(propan-2-yloxy)phosphoryl]propane?
The IUPAC name of 2-chloro-2-[fluoro(propan-2-yloxy)phosphoryl]propane (CID 151495462) is 2-chloro-2-[fluoro(propan-2-yloxy)phosphoryl]propane.
What is the SMILES notation for 2-chloro-2-[fluoro(propan-2-yloxy)phosphoryl]propane?
The canonical SMILES for 2-chloro-2-[fluoro(propan-2-yloxy)phosphoryl]propane is CC(C)OP(=O)(F)C(C)(C)Cl.
What is the InChIKey of 2-chloro-2-[fluoro(propan-2-yloxy)phosphoryl]propane?
The InChIKey is PPIFGGWJTLASBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClFO2P/c1-5(2)10-11(8,9)6(3,4)7/h5H,1-4H3.
What are the key properties of 2-chloro-2-[fluoro(propan-2-yloxy)phosphoryl]propane?
2-chloro-2-[fluoro(propan-2-yloxy)phosphoryl]propane has a molecular weight of 202.59 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-[fluoro(propan-2-yloxy)phosphoryl]propane is sourced from PubChem (CID 151495462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).