4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hexan-1-ol

C7H7F9O — CID 2775052

IUPAC4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hexan-1-ol
SMILESOCCCC(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H7F9O/c8-4(2-1-3-17,6(11,12)13)5(9,10)7(14,15)16/h17H,1-3H2
InChIKeyWHNVWOCZLNZDCM-UHFFFAOYSA-N
MW278.11 g/mol
LogP3.23
Rot. Bonds4

About 4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hexan-1-ol

4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hexan-1-ol (PubChem CID 2775052) has the molecular formula C7H7F9O and a molecular weight of 278.11 g/mol. Its IUPAC name is 4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hexan-1-ol.

Molecular Properties

Compound Name4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hexan-1-ol
PubChem CID2775052
Molecular FormulaC7H7F9O
Molecular Weight278.11 g/mol
Exact Mass278.04
IUPAC Name4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hexan-1-ol
SMILESOCCCC(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H7F9O/c8-4(2-1-3-17,6(11,12)13)5(9,10)7(14,15)16/h17H,1-3H2
InChIKeyWHNVWOCZLNZDCM-UHFFFAOYSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 53.23
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 4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hexan-1-ol?
The IUPAC name of 4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hexan-1-ol (CID 2775052) is 4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hexan-1-ol.
What is the SMILES notation for 4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hexan-1-ol?
The canonical SMILES for 4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hexan-1-ol is OCCCC(F)(C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hexan-1-ol?
The InChIKey is WHNVWOCZLNZDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F9O/c8-4(2-1-3-17,6(11,12)13)5(9,10)7(14,15)16/h17H,1-3H2.
What are the key properties of 4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hexan-1-ol?
4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hexan-1-ol has a molecular weight of 278.11 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hexan-1-ol is sourced from PubChem (CID 2775052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).