1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone

C10H12F6O2 — CID 102722515

IUPAC1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone
SMILESO=C(COC(C(F)(F)F)C(F)(F)F)C1CCCC1
InChIInChI=1S/C10H12F6O2/c11-9(12,13)8(10(14,15)16)18-5-7(17)6-3-1-2-4-6/h6,8H,1-5H2
InChIKeyMVQCQNKRADFREW-UHFFFAOYSA-N
MW278.19 g/mol
LogP3.26
Rot. Bonds4

About 1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone

1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone (PubChem CID 102722515) has the molecular formula C10H12F6O2 and a molecular weight of 278.19 g/mol. Its IUPAC name is 1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone
PubChem CID102722515
Molecular FormulaC10H12F6O2
Molecular Weight278.19 g/mol
Exact Mass278.07
IUPAC Name1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone
SMILESO=C(COC(C(F)(F)F)C(F)(F)F)C1CCCC1
InChIInChI=1S/C10H12F6O2/c11-9(12,13)8(10(14,15)16)18-5-7(17)6-3-1-2-4-6/h6,8H,1-5H2
InChIKeyMVQCQNKRADFREW-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone?
The IUPAC name of 1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone (CID 102722515) is 1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone.
What is the SMILES notation for 1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone?
The canonical SMILES for 1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone is O=C(COC(C(F)(F)F)C(F)(F)F)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone?
The InChIKey is MVQCQNKRADFREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6O2/c11-9(12,13)8(10(14,15)16)18-5-7(17)6-3-1-2-4-6/h6,8H,1-5H2.
What are the key properties of 1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone?
1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone has a molecular weight of 278.19 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone is sourced from PubChem (CID 102722515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).