1,1,1,2,2,3,3-heptafluoro-8-phenyloctan-4-ol

C14H15F7O — CID 25137230

IUPAC1,1,1,2,2,3,3-heptafluoro-8-phenyloctan-4-ol
SMILESOC(CCCCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H15F7O/c15-12(16,13(17,18)14(19,20)21)11(22)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,11,22H,4-5,8-9H2
InChIKeyJTXDZUWPNVVKQF-UHFFFAOYSA-N
MW332.26 g/mol
LogP4.59
Rot. Bonds7

About 1,1,1,2,2,3,3-heptafluoro-8-phenyloctan-4-ol

1,1,1,2,2,3,3-heptafluoro-8-phenyloctan-4-ol (PubChem CID 25137230) has the molecular formula C14H15F7O and a molecular weight of 332.26 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-8-phenyloctan-4-ol.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-8-phenyloctan-4-ol
PubChem CID25137230
Molecular FormulaC14H15F7O
Molecular Weight332.26 g/mol
Exact Mass332.10
IUPAC Name1,1,1,2,2,3,3-heptafluoro-8-phenyloctan-4-ol
SMILESOC(CCCCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H15F7O/c15-12(16,13(17,18)14(19,20)21)11(22)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,11,22H,4-5,8-9H2
InChIKeyJTXDZUWPNVVKQF-UHFFFAOYSA-N
XLogP4.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3-heptafluoro-8-phenyloctan-4-ol?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-8-phenyloctan-4-ol (CID 25137230) is 1,1,1,2,2,3,3-heptafluoro-8-phenyloctan-4-ol.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-8-phenyloctan-4-ol?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-8-phenyloctan-4-ol is OC(CCCCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-8-phenyloctan-4-ol?
The InChIKey is JTXDZUWPNVVKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F7O/c15-12(16,13(17,18)14(19,20)21)11(22)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,11,22H,4-5,8-9H2.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-8-phenyloctan-4-ol?
1,1,1,2,2,3,3-heptafluoro-8-phenyloctan-4-ol has a molecular weight of 332.26 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3-heptafluoro-8-phenyloctan-4-ol is sourced from PubChem (CID 25137230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).