1-[3-(difluoromethoxy)cyclohexyl]-2,2-dimethylpropan-1-one

C12H20F2O2 — CID 176834256

IUPAC1-[3-(difluoromethoxy)cyclohexyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CCCC(OC(F)F)C1
InChIInChI=1S/C12H20F2O2/c1-12(2,3)10(15)8-5-4-6-9(7-8)16-11(13)14/h8-9,11H,4-7H2,1-3H3
InChIKeyNOIGNISWJULNCQ-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.40
Rot. Bonds3

About 1-[3-(difluoromethoxy)cyclohexyl]-2,2-dimethylpropan-1-one

1-[3-(difluoromethoxy)cyclohexyl]-2,2-dimethylpropan-1-one (PubChem CID 176834256) has the molecular formula C12H20F2O2 and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)cyclohexyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)cyclohexyl]-2,2-dimethylpropan-1-one
PubChem CID176834256
Molecular FormulaC12H20F2O2
Molecular Weight234.29 g/mol
Exact Mass234.14
IUPAC Name1-[3-(difluoromethoxy)cyclohexyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CCCC(OC(F)F)C1
InChIInChI=1S/C12H20F2O2/c1-12(2,3)10(15)8-5-4-6-9(7-8)16-11(13)14/h8-9,11H,4-7H2,1-3H3
InChIKeyNOIGNISWJULNCQ-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)cyclohexyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-(difluoromethoxy)cyclohexyl]-2,2-dimethylpropan-1-one (CID 176834256) is 1-[3-(difluoromethoxy)cyclohexyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-(difluoromethoxy)cyclohexyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-(difluoromethoxy)cyclohexyl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1CCCC(OC(F)F)C1.
What is the InChIKey of 1-[3-(difluoromethoxy)cyclohexyl]-2,2-dimethylpropan-1-one?
The InChIKey is NOIGNISWJULNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2O2/c1-12(2,3)10(15)8-5-4-6-9(7-8)16-11(13)14/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 1-[3-(difluoromethoxy)cyclohexyl]-2,2-dimethylpropan-1-one?
1-[3-(difluoromethoxy)cyclohexyl]-2,2-dimethylpropan-1-one has a molecular weight of 234.29 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)cyclohexyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 176834256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).