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

C9H12F8O3 — CID 75360836

IUPAC1,3-bis(2,2,3,3-tetrafluoropropoxy)propan-2-ol
SMILESOC(COCC(F)(F)C(F)F)COCC(F)(F)C(F)F
InChIInChI=1S/C9H12F8O3/c10-6(11)8(14,15)3-19-1-5(18)2-20-4-9(16,17)7(12)13/h5-7,18H,1-4H2
InChIKeyNJAVGVZXWFYLMP-UHFFFAOYSA-N
MW320.18 g/mol
LogP2.18
Rot. Bonds10

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

1,3-bis(2,2,3,3-tetrafluoropropoxy)propan-2-ol (PubChem CID 75360836) has the molecular formula C9H12F8O3 and a molecular weight of 320.18 g/mol. Its IUPAC name is 1,3-bis(2,2,3,3-tetrafluoropropoxy)propan-2-ol.

Molecular Properties

Compound Name1,3-bis(2,2,3,3-tetrafluoropropoxy)propan-2-ol
PubChem CID75360836
Molecular FormulaC9H12F8O3
Molecular Weight320.18 g/mol
Exact Mass320.07
IUPAC Name1,3-bis(2,2,3,3-tetrafluoropropoxy)propan-2-ol
SMILESOC(COCC(F)(F)C(F)F)COCC(F)(F)C(F)F
InChIInChI=1S/C9H12F8O3/c10-6(11)8(14,15)3-19-1-5(18)2-20-4-9(16,17)7(12)13/h5-7,18H,1-4H2
InChIKeyNJAVGVZXWFYLMP-UHFFFAOYSA-N
XLogP2.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 52.18
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-tetrafluoropropoxy)propan-2-ol?
The IUPAC name of 1,3-bis(2,2,3,3-tetrafluoropropoxy)propan-2-ol (CID 75360836) is 1,3-bis(2,2,3,3-tetrafluoropropoxy)propan-2-ol.
What is the SMILES notation for 1,3-bis(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The canonical SMILES for 1,3-bis(2,2,3,3-tetrafluoropropoxy)propan-2-ol is OC(COCC(F)(F)C(F)F)COCC(F)(F)C(F)F.
What is the InChIKey of 1,3-bis(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The InChIKey is NJAVGVZXWFYLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F8O3/c10-6(11)8(14,15)3-19-1-5(18)2-20-4-9(16,17)7(12)13/h5-7,18H,1-4H2.
What are the key properties of 1,3-bis(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
1,3-bis(2,2,3,3-tetrafluoropropoxy)propan-2-ol has a molecular weight of 320.18 g/mol, XLogP of 2.18, 10 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-tetrafluoropropoxy)propan-2-ol is sourced from PubChem (CID 75360836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).