carbonic acid;bis(2,2,3,3,3-pentafluoropropan-1-ol)

C7H8F10O5 — CID 71351128

IUPACcarbonic acid;bis(2,2,3,3,3-pentafluoropropan-1-ol)
SMILESO=C(O)O.OCC(F)(F)C(F)(F)F.OCC(F)(F)C(F)(F)F
InChIInChI=1S/2C3H3F5O.CH2O3/c2*4-2(5,1-9)3(6,7)8;2-1(3)4/h2*9H,1H2;(H2,2,3,4)
InChIKeyKAIIONHTPOURLT-UHFFFAOYSA-N
MW362.12 g/mol
LogP2.58
Rot. Bonds2

About carbonic acid;bis(2,2,3,3,3-pentafluoropropan-1-ol)

carbonic acid;bis(2,2,3,3,3-pentafluoropropan-1-ol) (PubChem CID 71351128) has the molecular formula C7H8F10O5 and a molecular weight of 362.12 g/mol. Its IUPAC name is carbonic acid;bis(2,2,3,3,3-pentafluoropropan-1-ol).

Molecular Properties

Compound Namecarbonic acid;bis(2,2,3,3,3-pentafluoropropan-1-ol)
PubChem CID71351128
Molecular FormulaC7H8F10O5
Molecular Weight362.12 g/mol
Exact Mass362.02
IUPAC Namecarbonic acid;bis(2,2,3,3,3-pentafluoropropan-1-ol)
SMILESO=C(O)O.OCC(F)(F)C(F)(F)F.OCC(F)(F)C(F)(F)F
InChIInChI=1S/2C3H3F5O.CH2O3/c2*4-2(5,1-9)3(6,7)8;2-1(3)4/h2*9H,1H2;(H2,2,3,4)
InChIKeyKAIIONHTPOURLT-UHFFFAOYSA-N
XLogP2.58
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.12
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;bis(2,2,3,3,3-pentafluoropropan-1-ol)?
The IUPAC name of carbonic acid;bis(2,2,3,3,3-pentafluoropropan-1-ol) (CID 71351128) is carbonic acid;bis(2,2,3,3,3-pentafluoropropan-1-ol).
What is the SMILES notation for carbonic acid;bis(2,2,3,3,3-pentafluoropropan-1-ol)?
The canonical SMILES for carbonic acid;bis(2,2,3,3,3-pentafluoropropan-1-ol) is O=C(O)O.OCC(F)(F)C(F)(F)F.OCC(F)(F)C(F)(F)F.
What is the InChIKey of carbonic acid;bis(2,2,3,3,3-pentafluoropropan-1-ol)?
The InChIKey is KAIIONHTPOURLT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H3F5O.CH2O3/c2*4-2(5,1-9)3(6,7)8;2-1(3)4/h2*9H,1H2;(H2,2,3,4).
What are the key properties of carbonic acid;bis(2,2,3,3,3-pentafluoropropan-1-ol)?
carbonic acid;bis(2,2,3,3,3-pentafluoropropan-1-ol) has a molecular weight of 362.12 g/mol, XLogP of 2.58, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;bis(2,2,3,3,3-pentafluoropropan-1-ol) is sourced from PubChem (CID 71351128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).