4,4,5,5-tetrafluoro-6-(3-phenylpropoxy)hexan-1-ol

C15H20F4O2 — CID 86658311

IUPAC4,4,5,5-tetrafluoro-6-(3-phenylpropoxy)hexan-1-ol
SMILESOCCCC(F)(F)C(F)(F)COCCCc1ccccc1
InChIInChI=1S/C15H20F4O2/c16-14(17,9-5-10-20)15(18,19)12-21-11-4-8-13-6-2-1-3-7-13/h1-3,6-7,20H,4-5,8-12H2
InChIKeyXVJLTGUEXPFCPO-UHFFFAOYSA-N
MW308.31 g/mol
LogP3.68
Rot. Bonds10

About 4,4,5,5-tetrafluoro-6-(3-phenylpropoxy)hexan-1-ol

4,4,5,5-tetrafluoro-6-(3-phenylpropoxy)hexan-1-ol (PubChem CID 86658311) has the molecular formula C15H20F4O2 and a molecular weight of 308.31 g/mol. Its IUPAC name is 4,4,5,5-tetrafluoro-6-(3-phenylpropoxy)hexan-1-ol.

Molecular Properties

Compound Name4,4,5,5-tetrafluoro-6-(3-phenylpropoxy)hexan-1-ol
PubChem CID86658311
Molecular FormulaC15H20F4O2
Molecular Weight308.31 g/mol
Exact Mass308.14
IUPAC Name4,4,5,5-tetrafluoro-6-(3-phenylpropoxy)hexan-1-ol
SMILESOCCCC(F)(F)C(F)(F)COCCCc1ccccc1
InChIInChI=1S/C15H20F4O2/c16-14(17,9-5-10-20)15(18,19)12-21-11-4-8-13-6-2-1-3-7-13/h1-3,6-7,20H,4-5,8-12H2
InChIKeyXVJLTGUEXPFCPO-UHFFFAOYSA-N
XLogP3.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetrafluoro-6-(3-phenylpropoxy)hexan-1-ol?
The IUPAC name of 4,4,5,5-tetrafluoro-6-(3-phenylpropoxy)hexan-1-ol (CID 86658311) is 4,4,5,5-tetrafluoro-6-(3-phenylpropoxy)hexan-1-ol.
What is the SMILES notation for 4,4,5,5-tetrafluoro-6-(3-phenylpropoxy)hexan-1-ol?
The canonical SMILES for 4,4,5,5-tetrafluoro-6-(3-phenylpropoxy)hexan-1-ol is OCCCC(F)(F)C(F)(F)COCCCc1ccccc1.
What is the InChIKey of 4,4,5,5-tetrafluoro-6-(3-phenylpropoxy)hexan-1-ol?
The InChIKey is XVJLTGUEXPFCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4O2/c16-14(17,9-5-10-20)15(18,19)12-21-11-4-8-13-6-2-1-3-7-13/h1-3,6-7,20H,4-5,8-12H2.
What are the key properties of 4,4,5,5-tetrafluoro-6-(3-phenylpropoxy)hexan-1-ol?
4,4,5,5-tetrafluoro-6-(3-phenylpropoxy)hexan-1-ol has a molecular weight of 308.31 g/mol, XLogP of 3.68, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetrafluoro-6-(3-phenylpropoxy)hexan-1-ol is sourced from PubChem (CID 86658311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).