1,3-bis(2,2,3,3,3-pentafluoropropoxy)propan-2-ol

C9H10F10O3 — CID 88547799

IUPAC1,3-bis(2,2,3,3,3-pentafluoropropoxy)propan-2-ol
SMILESOC(COCC(F)(F)C(F)(F)F)COCC(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F10O3/c10-6(11,8(14,15)16)3-21-1-5(20)2-22-4-7(12,13)9(17,18)19/h5,20H,1-4H2
InChIKeyXBLIEVASSCGQPI-UHFFFAOYSA-N
MW356.16 g/mol
LogP2.78
Rot. Bonds8

About 1,3-bis(2,2,3,3,3-pentafluoropropoxy)propan-2-ol

1,3-bis(2,2,3,3,3-pentafluoropropoxy)propan-2-ol (PubChem CID 88547799) has the molecular formula C9H10F10O3 and a molecular weight of 356.16 g/mol. Its IUPAC name is 1,3-bis(2,2,3,3,3-pentafluoropropoxy)propan-2-ol.

Molecular Properties

Compound Name1,3-bis(2,2,3,3,3-pentafluoropropoxy)propan-2-ol
PubChem CID88547799
Molecular FormulaC9H10F10O3
Molecular Weight356.16 g/mol
Exact Mass356.05
IUPAC Name1,3-bis(2,2,3,3,3-pentafluoropropoxy)propan-2-ol
SMILESOC(COCC(F)(F)C(F)(F)F)COCC(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F10O3/c10-6(11,8(14,15)16)3-21-1-5(20)2-22-4-7(12,13)9(17,18)19/h5,20H,1-4H2
InChIKeyXBLIEVASSCGQPI-UHFFFAOYSA-N
XLogP2.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.16
LogP ≤ 52.78
H-Bond Donors ≤ 51
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 1,3-bis(2,2,3,3,3-pentafluoropropoxy)propan-2-ol?
The IUPAC name of 1,3-bis(2,2,3,3,3-pentafluoropropoxy)propan-2-ol (CID 88547799) is 1,3-bis(2,2,3,3,3-pentafluoropropoxy)propan-2-ol.
What is the SMILES notation for 1,3-bis(2,2,3,3,3-pentafluoropropoxy)propan-2-ol?
The canonical SMILES for 1,3-bis(2,2,3,3,3-pentafluoropropoxy)propan-2-ol is OC(COCC(F)(F)C(F)(F)F)COCC(F)(F)C(F)(F)F.
What is the InChIKey of 1,3-bis(2,2,3,3,3-pentafluoropropoxy)propan-2-ol?
The InChIKey is XBLIEVASSCGQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F10O3/c10-6(11,8(14,15)16)3-21-1-5(20)2-22-4-7(12,13)9(17,18)19/h5,20H,1-4H2.
What are the key properties of 1,3-bis(2,2,3,3,3-pentafluoropropoxy)propan-2-ol?
1,3-bis(2,2,3,3,3-pentafluoropropoxy)propan-2-ol has a molecular weight of 356.16 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,2,3,3,3-pentafluoropropoxy)propan-2-ol is sourced from PubChem (CID 88547799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).