7,7,8,8,9,9,10,10,10-nonafluoro-5-methyldecan-5-ol

C11H15F9O — CID 134957960

IUPAC7,7,8,8,9,9,10,10,10-nonafluoro-5-methyldecan-5-ol
SMILESCCCCC(C)(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H15F9O/c1-3-4-5-7(2,21)6-8(12,13)9(14,15)10(16,17)11(18,19)20/h21H,3-6H2,1-2H3
InChIKeyUSPZBIZZWUVQPW-UHFFFAOYSA-N
MW334.22 g/mol
LogP4.79
Rot. Bonds7

About 7,7,8,8,9,9,10,10,10-nonafluoro-5-methyldecan-5-ol

7,7,8,8,9,9,10,10,10-nonafluoro-5-methyldecan-5-ol (PubChem CID 134957960) has the molecular formula C11H15F9O and a molecular weight of 334.22 g/mol. Its IUPAC name is 7,7,8,8,9,9,10,10,10-nonafluoro-5-methyldecan-5-ol.

Molecular Properties

Compound Name7,7,8,8,9,9,10,10,10-nonafluoro-5-methyldecan-5-ol
PubChem CID134957960
Molecular FormulaC11H15F9O
Molecular Weight334.22 g/mol
Exact Mass334.10
IUPAC Name7,7,8,8,9,9,10,10,10-nonafluoro-5-methyldecan-5-ol
SMILESCCCCC(C)(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H15F9O/c1-3-4-5-7(2,21)6-8(12,13)9(14,15)10(16,17)11(18,19)20/h21H,3-6H2,1-2H3
InChIKeyUSPZBIZZWUVQPW-UHFFFAOYSA-N
XLogP4.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 7,7,8,8,9,9,10,10,10-nonafluoro-5-methyldecan-5-ol?
The IUPAC name of 7,7,8,8,9,9,10,10,10-nonafluoro-5-methyldecan-5-ol (CID 134957960) is 7,7,8,8,9,9,10,10,10-nonafluoro-5-methyldecan-5-ol.
What is the SMILES notation for 7,7,8,8,9,9,10,10,10-nonafluoro-5-methyldecan-5-ol?
The canonical SMILES for 7,7,8,8,9,9,10,10,10-nonafluoro-5-methyldecan-5-ol is CCCCC(C)(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 7,7,8,8,9,9,10,10,10-nonafluoro-5-methyldecan-5-ol?
The InChIKey is USPZBIZZWUVQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F9O/c1-3-4-5-7(2,21)6-8(12,13)9(14,15)10(16,17)11(18,19)20/h21H,3-6H2,1-2H3.
What are the key properties of 7,7,8,8,9,9,10,10,10-nonafluoro-5-methyldecan-5-ol?
7,7,8,8,9,9,10,10,10-nonafluoro-5-methyldecan-5-ol has a molecular weight of 334.22 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,8,8,9,9,10,10,10-nonafluoro-5-methyldecan-5-ol is sourced from PubChem (CID 134957960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).