1,1,1,3,3,3-hexafluoro-2-(3-fluoro-1-prop-2-enylcyclobut-2-en-1-yl)propan-2-ol

C10H9F7O — CID 58854814

IUPAC1,1,1,3,3,3-hexafluoro-2-(3-fluoro-1-prop-2-enylcyclobut-2-en-1-yl)propan-2-ol
SMILESC=CCC1(C(O)(C(F)(F)F)C(F)(F)F)C=C(F)C1
InChIInChI=1S/C10H9F7O/c1-2-3-7(4-6(11)5-7)8(18,9(12,13)14)10(15,16)17/h2,4,18H,1,3,5H2
InChIKeyHYATYYQBCUKAPO-UHFFFAOYSA-N
MW278.17 g/mol
LogP3.66
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoro-2-(3-fluoro-1-prop-2-enylcyclobut-2-en-1-yl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(3-fluoro-1-prop-2-enylcyclobut-2-en-1-yl)propan-2-ol (PubChem CID 58854814) has the molecular formula C10H9F7O and a molecular weight of 278.17 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(3-fluoro-1-prop-2-enylcyclobut-2-en-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(3-fluoro-1-prop-2-enylcyclobut-2-en-1-yl)propan-2-ol
PubChem CID58854814
Molecular FormulaC10H9F7O
Molecular Weight278.17 g/mol
Exact Mass278.05
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(3-fluoro-1-prop-2-enylcyclobut-2-en-1-yl)propan-2-ol
SMILESC=CCC1(C(O)(C(F)(F)F)C(F)(F)F)C=C(F)C1
InChIInChI=1S/C10H9F7O/c1-2-3-7(4-6(11)5-7)8(18,9(12,13)14)10(15,16)17/h2,4,18H,1,3,5H2
InChIKeyHYATYYQBCUKAPO-UHFFFAOYSA-N
XLogP3.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.17
LogP ≤ 53.66
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-(3-fluoro-1-prop-2-enylcyclobut-2-en-1-yl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(3-fluoro-1-prop-2-enylcyclobut-2-en-1-yl)propan-2-ol (CID 58854814) is 1,1,1,3,3,3-hexafluoro-2-(3-fluoro-1-prop-2-enylcyclobut-2-en-1-yl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(3-fluoro-1-prop-2-enylcyclobut-2-en-1-yl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(3-fluoro-1-prop-2-enylcyclobut-2-en-1-yl)propan-2-ol is C=CCC1(C(O)(C(F)(F)F)C(F)(F)F)C=C(F)C1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(3-fluoro-1-prop-2-enylcyclobut-2-en-1-yl)propan-2-ol?
The InChIKey is HYATYYQBCUKAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F7O/c1-2-3-7(4-6(11)5-7)8(18,9(12,13)14)10(15,16)17/h2,4,18H,1,3,5H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(3-fluoro-1-prop-2-enylcyclobut-2-en-1-yl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(3-fluoro-1-prop-2-enylcyclobut-2-en-1-yl)propan-2-ol has a molecular weight of 278.17 g/mol, XLogP of 3.66, 3 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-(3-fluoro-1-prop-2-enylcyclobut-2-en-1-yl)propan-2-ol is sourced from PubChem (CID 58854814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).