1-ethoxy-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol

C8H9F9O2 — CID 13204822

IUPAC1-ethoxy-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol
SMILESCCOCC(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F9O2/c1-2-19-3-4(18)5(9,10)6(11,12)7(13,14)8(15,16)17/h4,18H,2-3H2,1H3
InChIKeyCFHMZROKMSLQRX-UHFFFAOYSA-N
MW308.14 g/mol
LogP2.85
Rot. Bonds6

About 1-ethoxy-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol

1-ethoxy-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol (PubChem CID 13204822) has the molecular formula C8H9F9O2 and a molecular weight of 308.14 g/mol. Its IUPAC name is 1-ethoxy-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol
PubChem CID13204822
Molecular FormulaC8H9F9O2
Molecular Weight308.14 g/mol
Exact Mass308.05
IUPAC Name1-ethoxy-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol
SMILESCCOCC(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F9O2/c1-2-19-3-4(18)5(9,10)6(11,12)7(13,14)8(15,16)17/h4,18H,2-3H2,1H3
InChIKeyCFHMZROKMSLQRX-UHFFFAOYSA-N
XLogP2.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethoxy-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol?
The IUPAC name of 1-ethoxy-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol (CID 13204822) is 1-ethoxy-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol.
What is the SMILES notation for 1-ethoxy-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol?
The canonical SMILES for 1-ethoxy-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol is CCOCC(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-ethoxy-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol?
The InChIKey is CFHMZROKMSLQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F9O2/c1-2-19-3-4(18)5(9,10)6(11,12)7(13,14)8(15,16)17/h4,18H,2-3H2,1H3.
What are the key properties of 1-ethoxy-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol?
1-ethoxy-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol has a molecular weight of 308.14 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol is sourced from PubChem (CID 13204822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).