ethane;1-(1-fluorocyclohexyl)ethanone

C10H19FO — CID 177366175

IUPACethane;1-(1-fluorocyclohexyl)ethanone
SMILESCC.CC(=O)C1(F)CCCCC1
InChIInChI=1S/C8H13FO.C2H6/c1-7(10)8(9)5-3-2-4-6-8;1-2/h2-6H2,1H3;1-2H3
InChIKeyIECMUZWNVRVQBB-UHFFFAOYSA-N
MW174.26 g/mol
LogP3.27
Rot. Bonds1

About ethane;1-(1-fluorocyclohexyl)ethanone

ethane;1-(1-fluorocyclohexyl)ethanone (PubChem CID 177366175) has the molecular formula C10H19FO and a molecular weight of 174.26 g/mol. Its IUPAC name is ethane;1-(1-fluorocyclohexyl)ethanone.

Molecular Properties

Compound Nameethane;1-(1-fluorocyclohexyl)ethanone
PubChem CID177366175
Molecular FormulaC10H19FO
Molecular Weight174.26 g/mol
Exact Mass174.14
IUPAC Nameethane;1-(1-fluorocyclohexyl)ethanone
SMILESCC.CC(=O)C1(F)CCCCC1
InChIInChI=1S/C8H13FO.C2H6/c1-7(10)8(9)5-3-2-4-6-8;1-2/h2-6H2,1H3;1-2H3
InChIKeyIECMUZWNVRVQBB-UHFFFAOYSA-N
XLogP3.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorooxan-4-yl)ethanone
CID 58356077
cyclohexane;ethane;bis(propan-2-one)
CID 160732509
ethyl 1-fluorocyclopentane-1-carboxylate
CID 14460277
1-(1-methoxycycloheptyl)ethanone
CID 83225564
1-[1-(methylamino)cycloheptyl]ethanone
CID 59493685
1-fluoro-N-methylcyclobutane-1-carboxamide
CID 130266037
1-(1-fluorocyclobutyl)ethanethione
CID 170126982
1-acetylcyclohexane-1-carbonitrile
CID 18340732
(1-acetylcyclohexyl)sulfonyloxy 1-acetylcyclohexane-1-sulfonate
CID 21225538
tert-butyl 2-(1-fluorocyclohexyl)-2-methylpropanoate
CID 145403821
1-(1-pentan-3-ylcyclohexyl)ethanone
CID 67989831
1-(2,2-difluorocyclohexyl)ethanone
CID 131187691

Frequently Asked Questions

What is the IUPAC name of ethane;1-(1-fluorocyclohexyl)ethanone?
The IUPAC name of ethane;1-(1-fluorocyclohexyl)ethanone (CID 177366175) is ethane;1-(1-fluorocyclohexyl)ethanone.
What is the SMILES notation for ethane;1-(1-fluorocyclohexyl)ethanone?
The canonical SMILES for ethane;1-(1-fluorocyclohexyl)ethanone is CC.CC(=O)C1(F)CCCCC1.
What is the InChIKey of ethane;1-(1-fluorocyclohexyl)ethanone?
The InChIKey is IECMUZWNVRVQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO.C2H6/c1-7(10)8(9)5-3-2-4-6-8;1-2/h2-6H2,1H3;1-2H3.
What are the key properties of ethane;1-(1-fluorocyclohexyl)ethanone?
ethane;1-(1-fluorocyclohexyl)ethanone has a molecular weight of 174.26 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1-fluorocyclohexyl)ethanone is sourced from PubChem (CID 177366175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).