1-[1-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone

C11H16F4O2 — CID 167251937

IUPAC1-[1-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone
SMILESCC(=O)C1(OCC(F)(F)C(F)F)CCCCC1
InChIInChI=1S/C11H16F4O2/c1-8(16)10(5-3-2-4-6-10)17-7-11(14,15)9(12)13/h9H,2-7H2,1H3
InChIKeyKPYDJJAPVUEHFD-UHFFFAOYSA-N
MW256.24 g/mol
LogP3.20
Rot. Bonds5

About 1-[1-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone

1-[1-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone (PubChem CID 167251937) has the molecular formula C11H16F4O2 and a molecular weight of 256.24 g/mol. Its IUPAC name is 1-[1-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[1-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone
PubChem CID167251937
Molecular FormulaC11H16F4O2
Molecular Weight256.24 g/mol
Exact Mass256.11
IUPAC Name1-[1-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone
SMILESCC(=O)C1(OCC(F)(F)C(F)F)CCCCC1
InChIInChI=1S/C11H16F4O2/c1-8(16)10(5-3-2-4-6-10)17-7-11(14,15)9(12)13/h9H,2-7H2,1H3
InChIKeyKPYDJJAPVUEHFD-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4-Difluoro-1-methoxycyclohexane-1-carbaldehyde
CID 155821930
1-Cyclohexyl-2-fluoro-2-(trifluoromethoxy)ethan-1-one
CID 21730841
Ethyl 4-(4,4-difluorocyclohexyl)-2-oxobutanoate
CID 86710078
1-(4,4-Difluoro-1-methoxycyclohexyl)-2-methylpropan-1-one
CID 89692015
1-[(2S)-5,5-difluoro-2-methyloxan-2-yl]-2-methylpropan-1-one
CID 89692478
1-[(2R)-5,5-difluoro-2-methyloxan-2-yl]-2-methylpropan-1-one
CID 89692481
1-[(2R)-4,4-difluoro-2-methyloxan-2-yl]-2-methylpropan-1-one
CID 89692494
1-(4,4-Difluoro-1-methoxycyclohexyl)ethanone
CID 89694477
2-Cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one
CID 91272120
1-[(2R)-6,6-difluoro-2-methyloxepan-2-yl]propan-1-one
CID 117815670
1-[(2R)-6,6-difluoro-2-methyloxepan-2-yl]ethanone
CID 117828994
1-[(2S)-5,5-difluoro-2-methyloxan-2-yl]propan-1-one
CID 118218394

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone?
The IUPAC name of 1-[1-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone (CID 167251937) is 1-[1-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone.
What is the SMILES notation for 1-[1-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone?
The canonical SMILES for 1-[1-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone is CC(=O)C1(OCC(F)(F)C(F)F)CCCCC1.
What is the InChIKey of 1-[1-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone?
The InChIKey is KPYDJJAPVUEHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F4O2/c1-8(16)10(5-3-2-4-6-10)17-7-11(14,15)9(12)13/h9H,2-7H2,1H3.
What are the key properties of 1-[1-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone?
1-[1-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone has a molecular weight of 256.24 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone is sourced from PubChem (CID 167251937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).