8,8,9,9,10,10,10-heptafluorodecane-1,6-diol

C10H15F7O2 — CID 137374790

IUPAC8,8,9,9,10,10,10-heptafluorodecane-1,6-diol
SMILESOCCCCCC(O)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H15F7O2/c11-8(12,9(13,14)10(15,16)17)6-7(19)4-2-1-3-5-18/h7,18-19H,1-6H2
InChIKeyRTYCCOYYDBHIAG-UHFFFAOYSA-N
MW300.21 g/mol
LogP3.12
Rot. Bonds8

About 8,8,9,9,10,10,10-heptafluorodecane-1,6-diol

8,8,9,9,10,10,10-heptafluorodecane-1,6-diol (PubChem CID 137374790) has the molecular formula C10H15F7O2 and a molecular weight of 300.21 g/mol. Its IUPAC name is 8,8,9,9,10,10,10-heptafluorodecane-1,6-diol.

Molecular Properties

Compound Name8,8,9,9,10,10,10-heptafluorodecane-1,6-diol
PubChem CID137374790
Molecular FormulaC10H15F7O2
Molecular Weight300.21 g/mol
Exact Mass300.10
IUPAC Name8,8,9,9,10,10,10-heptafluorodecane-1,6-diol
SMILESOCCCCCC(O)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H15F7O2/c11-8(12,9(13,14)10(15,16)17)6-7(19)4-2-1-3-5-18/h7,18-19H,1-6H2
InChIKeyRTYCCOYYDBHIAG-UHFFFAOYSA-N
XLogP3.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 154477198
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CID 11403100
heptacosane-1,10,27-triol
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hexacosane-1,8,19,26-tetrol
CID 167004997
9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-pentacosafluoroicos-1-en-7-ol
CID 88654871
10-(2,2,4,4,5,5,5-heptafluoropentyl)-11-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)icosane-1,20-diol
CID 138631372
tridecane-1,4,13-triol
CID 90439734
decane-1,8-diol
CID 160857478
icosane-1,18-diol
CID 87114916
octane-1,6-diol
CID 159745348

Frequently Asked Questions

What is the IUPAC name of 8,8,9,9,10,10,10-heptafluorodecane-1,6-diol?
The IUPAC name of 8,8,9,9,10,10,10-heptafluorodecane-1,6-diol (CID 137374790) is 8,8,9,9,10,10,10-heptafluorodecane-1,6-diol.
What is the SMILES notation for 8,8,9,9,10,10,10-heptafluorodecane-1,6-diol?
The canonical SMILES for 8,8,9,9,10,10,10-heptafluorodecane-1,6-diol is OCCCCCC(O)CC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 8,8,9,9,10,10,10-heptafluorodecane-1,6-diol?
The InChIKey is RTYCCOYYDBHIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F7O2/c11-8(12,9(13,14)10(15,16)17)6-7(19)4-2-1-3-5-18/h7,18-19H,1-6H2.
What are the key properties of 8,8,9,9,10,10,10-heptafluorodecane-1,6-diol?
8,8,9,9,10,10,10-heptafluorodecane-1,6-diol has a molecular weight of 300.21 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,9,9,10,10,10-heptafluorodecane-1,6-diol is sourced from PubChem (CID 137374790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).