1,1,1,2,2-pentafluoro-3,7-dimethyloct-6-en-3-ol

C10H15F5O — CID 13495700

IUPAC1,1,1,2,2-pentafluoro-3,7-dimethyloct-6-en-3-ol
SMILESCC(C)=CCCC(C)(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H15F5O/c1-7(2)5-4-6-8(3,16)9(11,12)10(13,14)15/h5,16H,4,6H2,1-3H3
InChIKeyXDNZKSOPZJYXCY-UHFFFAOYSA-N
MW246.22 g/mol
LogP3.68
Rot. Bonds4

About 1,1,1,2,2-pentafluoro-3,7-dimethyloct-6-en-3-ol

1,1,1,2,2-pentafluoro-3,7-dimethyloct-6-en-3-ol (PubChem CID 13495700) has the molecular formula C10H15F5O and a molecular weight of 246.22 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-3,7-dimethyloct-6-en-3-ol.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-3,7-dimethyloct-6-en-3-ol
PubChem CID13495700
Molecular FormulaC10H15F5O
Molecular Weight246.22 g/mol
Exact Mass246.10
IUPAC Name1,1,1,2,2-pentafluoro-3,7-dimethyloct-6-en-3-ol
SMILESCC(C)=CCCC(C)(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H15F5O/c1-7(2)5-4-6-8(3,16)9(11,12)10(13,14)15/h5,16H,4,6H2,1-3H3
InChIKeyXDNZKSOPZJYXCY-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-3,7-dimethyloct-6-en-3-ol?
The IUPAC name of 1,1,1,2,2-pentafluoro-3,7-dimethyloct-6-en-3-ol (CID 13495700) is 1,1,1,2,2-pentafluoro-3,7-dimethyloct-6-en-3-ol.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-3,7-dimethyloct-6-en-3-ol?
The canonical SMILES for 1,1,1,2,2-pentafluoro-3,7-dimethyloct-6-en-3-ol is CC(C)=CCCC(C)(O)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-3,7-dimethyloct-6-en-3-ol?
The InChIKey is XDNZKSOPZJYXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F5O/c1-7(2)5-4-6-8(3,16)9(11,12)10(13,14)15/h5,16H,4,6H2,1-3H3.
What are the key properties of 1,1,1,2,2-pentafluoro-3,7-dimethyloct-6-en-3-ol?
1,1,1,2,2-pentafluoro-3,7-dimethyloct-6-en-3-ol has a molecular weight of 246.22 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-3,7-dimethyloct-6-en-3-ol is sourced from PubChem (CID 13495700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).