10-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undecan-4-one

C14H16F6O2 — CID 89185417

IUPAC10-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undecan-4-one
SMILESO=C1CCC2C3CC(C2C1)C(C(O)(C(F)(F)F)C(F)(F)F)C3
InChIInChI=1S/C14H16F6O2/c15-13(16,17)12(22,14(18,19)20)11-4-6-3-10(11)9-5-7(21)1-2-8(6)9/h6,8-11,22H,1-5H2
InChIKeyBQQMDHCVNOPUAW-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.48
Rot. Bonds1

About 10-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undecan-4-one

10-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undecan-4-one (PubChem CID 89185417) has the molecular formula C14H16F6O2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 10-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undecan-4-one.

Molecular Properties

Compound Name10-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undecan-4-one
PubChem CID89185417
Molecular FormulaC14H16F6O2
Molecular Weight330.27 g/mol
Exact Mass330.11
IUPAC Name10-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undecan-4-one
SMILESO=C1CCC2C3CC(C2C1)C(C(O)(C(F)(F)F)C(F)(F)F)C3
InChIInChI=1S/C14H16F6O2/c15-13(16,17)12(22,14(18,19)20)11-4-6-3-10(11)9-5-7(21)1-2-8(6)9/h6,8-11,22H,1-5H2
InChIKeyBQQMDHCVNOPUAW-UHFFFAOYSA-N
XLogP3.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undecan-4-one?
The IUPAC name of 10-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undecan-4-one (CID 89185417) is 10-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undecan-4-one.
What is the SMILES notation for 10-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undecan-4-one?
The canonical SMILES for 10-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undecan-4-one is O=C1CCC2C3CC(C2C1)C(C(O)(C(F)(F)F)C(F)(F)F)C3.
What is the InChIKey of 10-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undecan-4-one?
The InChIKey is BQQMDHCVNOPUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F6O2/c15-13(16,17)12(22,14(18,19)20)11-4-6-3-10(11)9-5-7(21)1-2-8(6)9/h6,8-11,22H,1-5H2.
What are the key properties of 10-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undecan-4-one?
10-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undecan-4-one has a molecular weight of 330.27 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undecan-4-one is sourced from PubChem (CID 89185417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).