2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one

C9H10Cl2F4O2 — CID 3063749

IUPAC2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one
SMILESO=C1CCCCC1C(O)(C(F)(F)Cl)C(F)(F)Cl
InChIInChI=1S/C9H10Cl2F4O2/c10-8(12,13)7(17,9(11,14)15)5-3-1-2-4-6(5)16/h5,17H,1-4H2
InChIKeyYUHZMPJETVFHFJ-UHFFFAOYSA-N
MW297.08 g/mol
LogP3.14
Rot. Bonds3

About 2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one

2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one (PubChem CID 3063749) has the molecular formula C9H10Cl2F4O2 and a molecular weight of 297.08 g/mol. Its IUPAC name is 2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one
PubChem CID3063749
Molecular FormulaC9H10Cl2F4O2
Molecular Weight297.08 g/mol
Exact Mass296.00
IUPAC Name2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one
SMILESO=C1CCCCC1C(O)(C(F)(F)Cl)C(F)(F)Cl
InChIInChI=1S/C9H10Cl2F4O2/c10-8(12,13)7(17,9(11,14)15)5-3-1-2-4-6(5)16/h5,17H,1-4H2
InChIKeyYUHZMPJETVFHFJ-UHFFFAOYSA-N
XLogP3.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.08
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one?
The IUPAC name of 2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one (CID 3063749) is 2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one?
The canonical SMILES for 2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one is O=C1CCCCC1C(O)(C(F)(F)Cl)C(F)(F)Cl.
What is the InChIKey of 2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one?
The InChIKey is YUHZMPJETVFHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2F4O2/c10-8(12,13)7(17,9(11,14)15)5-3-1-2-4-6(5)16/h5,17H,1-4H2.
What are the key properties of 2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one?
2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one has a molecular weight of 297.08 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one is sourced from PubChem (CID 3063749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).