1,1,1,3,3,3-hexafluoro-2-[3-(1-fluoroethenyl)-4-prop-2-enylcyclopentyl]propan-2-ol

C13H15F7O — CID 20760661

IUPAC1,1,1,3,3,3-hexafluoro-2-[3-(1-fluoroethenyl)-4-prop-2-enylcyclopentyl]propan-2-ol
SMILESC=CCC1CC(C(O)(C(F)(F)F)C(F)(F)F)CC1C(=C)F
InChIInChI=1S/C13H15F7O/c1-3-4-8-5-9(6-10(8)7(2)14)11(21,12(15,16)17)13(18,19)20/h3,8-10,21H,1-2,4-6H2
InChIKeyFPQWZYPXDMHFHR-UHFFFAOYSA-N
MW320.25 g/mol
LogP4.54
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoro-2-[3-(1-fluoroethenyl)-4-prop-2-enylcyclopentyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[3-(1-fluoroethenyl)-4-prop-2-enylcyclopentyl]propan-2-ol (PubChem CID 20760661) has the molecular formula C13H15F7O and a molecular weight of 320.25 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[3-(1-fluoroethenyl)-4-prop-2-enylcyclopentyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[3-(1-fluoroethenyl)-4-prop-2-enylcyclopentyl]propan-2-ol
PubChem CID20760661
Molecular FormulaC13H15F7O
Molecular Weight320.25 g/mol
Exact Mass320.10
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[3-(1-fluoroethenyl)-4-prop-2-enylcyclopentyl]propan-2-ol
SMILESC=CCC1CC(C(O)(C(F)(F)F)C(F)(F)F)CC1C(=C)F
InChIInChI=1S/C13H15F7O/c1-3-4-8-5-9(6-10(8)7(2)14)11(21,12(15,16)17)13(18,19)20/h3,8-10,21H,1-2,4-6H2
InChIKeyFPQWZYPXDMHFHR-UHFFFAOYSA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 54.54
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-(1-fluoroethenyl)-4-prop-2-enylcyclopentyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[3-(1-fluoroethenyl)-4-prop-2-enylcyclopentyl]propan-2-ol (CID 20760661) is 1,1,1,3,3,3-hexafluoro-2-[3-(1-fluoroethenyl)-4-prop-2-enylcyclopentyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[3-(1-fluoroethenyl)-4-prop-2-enylcyclopentyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[3-(1-fluoroethenyl)-4-prop-2-enylcyclopentyl]propan-2-ol is C=CCC1CC(C(O)(C(F)(F)F)C(F)(F)F)CC1C(=C)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[3-(1-fluoroethenyl)-4-prop-2-enylcyclopentyl]propan-2-ol?
The InChIKey is FPQWZYPXDMHFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F7O/c1-3-4-8-5-9(6-10(8)7(2)14)11(21,12(15,16)17)13(18,19)20/h3,8-10,21H,1-2,4-6H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[3-(1-fluoroethenyl)-4-prop-2-enylcyclopentyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[3-(1-fluoroethenyl)-4-prop-2-enylcyclopentyl]propan-2-ol has a molecular weight of 320.25 g/mol, XLogP of 4.54, 4 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-(1-fluoroethenyl)-4-prop-2-enylcyclopentyl]propan-2-ol is sourced from PubChem (CID 20760661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).