pentafluoro-λ5-phosphane;propyl hydrogen carbonate

C4H8F5O3P — CID 160745918

IUPACpentafluoro-λ5-phosphane;propyl hydrogen carbonate
SMILESCCCOC(=O)O.FP(F)(F)(F)F
InChIInChI=1S/C4H8O3.F5P/c1-2-3-7-4(5)6;1-6(2,3,4)5/h2-3H2,1H3,(H,5,6);
InChIKeyRWENFHIRXHCZCN-UHFFFAOYSA-N
MW230.07 g/mol
LogP4.05
Rot. Bonds2

About pentafluoro-λ5-phosphane;propyl hydrogen carbonate

pentafluoro-λ5-phosphane;propyl hydrogen carbonate (PubChem CID 160745918) has the molecular formula C4H8F5O3P and a molecular weight of 230.07 g/mol. Its IUPAC name is pentafluoro-λ5-phosphane;propyl hydrogen carbonate.

Molecular Properties

Compound Namepentafluoro-λ5-phosphane;propyl hydrogen carbonate
PubChem CID160745918
Molecular FormulaC4H8F5O3P
Molecular Weight230.07 g/mol
Exact Mass230.01
IUPAC Namepentafluoro-λ5-phosphane;propyl hydrogen carbonate
SMILESCCCOC(=O)O.FP(F)(F)(F)F
InChIInChI=1S/C4H8O3.F5P/c1-2-3-7-4(5)6;1-6(2,3,4)5/h2-3H2,1H3,(H,5,6);
InChIKeyRWENFHIRXHCZCN-UHFFFAOYSA-N
XLogP4.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.07
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropanoic acid;propyl hydrogen carbonate
CID 174790035
2-hydroperoxy-2-methylpropane;propyl hydrogen carbonate
CID 159910135
butyl hydrogen carbonate
CID 157271096
2-carboxyoxyethyl hydrogen carbonate;dimethyl carbonate;dipropyl carbonate
CID 87109601
heptaheptacontyl hydrogen carbonate
CID 162768324
calcium;butyl hydrogen carbonate;hydride
CID 173385932
disodium;butyl hydrogen carbonate;hydride
CID 174632839
triheptacontyl hydrogen carbonate
CID 142754463
hept-2-ene;propyl hydrogen carbonate
CID 158833730
azane;nonyl hydrogen carbonate
CID 175306231
2-carboxyoxyethyl butanoate
CID 140975603
calcium;dodecyl hydrogen carbonate;hydride
CID 174789528

Frequently Asked Questions

What is the IUPAC name of pentafluoro-λ5-phosphane;propyl hydrogen carbonate?
The IUPAC name of pentafluoro-λ5-phosphane;propyl hydrogen carbonate (CID 160745918) is pentafluoro-λ5-phosphane;propyl hydrogen carbonate.
What is the SMILES notation for pentafluoro-λ5-phosphane;propyl hydrogen carbonate?
The canonical SMILES for pentafluoro-λ5-phosphane;propyl hydrogen carbonate is CCCOC(=O)O.FP(F)(F)(F)F.
What is the InChIKey of pentafluoro-λ5-phosphane;propyl hydrogen carbonate?
The InChIKey is RWENFHIRXHCZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.F5P/c1-2-3-7-4(5)6;1-6(2,3,4)5/h2-3H2,1H3,(H,5,6);.
What are the key properties of pentafluoro-λ5-phosphane;propyl hydrogen carbonate?
pentafluoro-λ5-phosphane;propyl hydrogen carbonate has a molecular weight of 230.07 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-λ5-phosphane;propyl hydrogen carbonate is sourced from PubChem (CID 160745918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).