1,1,1,3,3,3-hexafluoro-2-(1-fluorocyclohex-3-en-1-yl)propan-2-ol

C9H9F7O — CID 89138985

IUPAC1,1,1,3,3,3-hexafluoro-2-(1-fluorocyclohex-3-en-1-yl)propan-2-ol
SMILESOC(C(F)(F)F)(C(F)(F)F)C1(F)CC=CCC1
InChIInChI=1S/C9H9F7O/c10-6(4-2-1-3-5-6)7(17,8(11,12)13)9(14,15)16/h1-2,17H,3-5H2
InChIKeyTXLSSZBHYODDDX-UHFFFAOYSA-N
MW266.16 g/mol
LogP3.29
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-(1-fluorocyclohex-3-en-1-yl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(1-fluorocyclohex-3-en-1-yl)propan-2-ol (PubChem CID 89138985) has the molecular formula C9H9F7O and a molecular weight of 266.16 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(1-fluorocyclohex-3-en-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(1-fluorocyclohex-3-en-1-yl)propan-2-ol
PubChem CID89138985
Molecular FormulaC9H9F7O
Molecular Weight266.16 g/mol
Exact Mass266.05
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(1-fluorocyclohex-3-en-1-yl)propan-2-ol
SMILESOC(C(F)(F)F)(C(F)(F)F)C1(F)CC=CCC1
InChIInChI=1S/C9H9F7O/c10-6(4-2-1-3-5-6)7(17,8(11,12)13)9(14,15)16/h1-2,17H,3-5H2
InChIKeyTXLSSZBHYODDDX-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.16
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(1-fluorocyclohex-3-en-1-yl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(1-fluorocyclohex-3-en-1-yl)propan-2-ol (CID 89138985) is 1,1,1,3,3,3-hexafluoro-2-(1-fluorocyclohex-3-en-1-yl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(1-fluorocyclohex-3-en-1-yl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(1-fluorocyclohex-3-en-1-yl)propan-2-ol is OC(C(F)(F)F)(C(F)(F)F)C1(F)CC=CCC1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(1-fluorocyclohex-3-en-1-yl)propan-2-ol?
The InChIKey is TXLSSZBHYODDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F7O/c10-6(4-2-1-3-5-6)7(17,8(11,12)13)9(14,15)16/h1-2,17H,3-5H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(1-fluorocyclohex-3-en-1-yl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(1-fluorocyclohex-3-en-1-yl)propan-2-ol has a molecular weight of 266.16 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(1-fluorocyclohex-3-en-1-yl)propan-2-ol is sourced from PubChem (CID 89138985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).