2-(3,3-difluorocyclohexyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone

C14H23F2NO2 — CID 114225578

IUPAC2-(3,3-difluorocyclohexyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
SMILESCCNC1COCC1C(=O)CC1CCCC(F)(F)C1
InChIInChI=1S/C14H23F2NO2/c1-2-17-12-9-19-8-11(12)13(18)6-10-4-3-5-14(15,16)7-10/h10-12,17H,2-9H2,1H3
InChIKeyNSOGIKZPJKRUGV-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.40
Rot. Bonds5

About 2-(3,3-difluorocyclohexyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone

2-(3,3-difluorocyclohexyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone (PubChem CID 114225578) has the molecular formula C14H23F2NO2 and a molecular weight of 275.34 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
PubChem CID114225578
Molecular FormulaC14H23F2NO2
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Name2-(3,3-difluorocyclohexyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
SMILESCCNC1COCC1C(=O)CC1CCCC(F)(F)C1
InChIInChI=1S/C14H23F2NO2/c1-2-17-12-9-19-8-11(12)13(18)6-10-4-3-5-14(15,16)7-10/h10-12,17H,2-9H2,1H3
InChIKeyNSOGIKZPJKRUGV-UHFFFAOYSA-N
XLogP2.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-Difluorocyclohexyl)-1-(4-methoxypyrrolidin-2-yl)ethanone
CID 114225546
2-(3,3-Difluorocyclohexyl)-1-[4-(methylamino)oxolan-3-yl]ethanone
CID 114225547
1-(3,3-Difluorocyclohexyl)-3-morpholin-3-ylpropan-2-one
CID 114225587
5,5,5-Trifluoro-1-[4-(methylamino)oxolan-3-yl]pentan-1-one
CID 116561467
4,4,4-Trifluoro-1-[4-(methylamino)oxolan-3-yl]butan-1-one
CID 116561522
5,5,5-Trifluoro-1-[4-(propylamino)oxolan-3-yl]pentan-1-one
CID 116587834
4,4,4-Trifluoro-1-[4-(propylamino)oxolan-3-yl]butan-1-one
CID 116587884
1-[4-(Ethylamino)oxolan-3-yl]-5,5,5-trifluoropentan-1-one
CID 116588116
1-[4-(Ethylamino)oxolan-3-yl]-4,4,4-trifluorobutan-1-one
CID 116588167
2-Methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one
CID 107889955
2-Methyl-1-[4-(propylamino)oxolan-3-yl]pentan-1-one
CID 107890182
1-[4-(Ethylamino)oxolan-3-yl]-2-methylpentan-1-one
CID 107890185

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclohexyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone?
The IUPAC name of 2-(3,3-difluorocyclohexyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone (CID 114225578) is 2-(3,3-difluorocyclohexyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone is CCNC1COCC1C(=O)CC1CCCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone?
The InChIKey is NSOGIKZPJKRUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO2/c1-2-17-12-9-19-8-11(12)13(18)6-10-4-3-5-14(15,16)7-10/h10-12,17H,2-9H2,1H3.
What are the key properties of 2-(3,3-difluorocyclohexyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone?
2-(3,3-difluorocyclohexyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone has a molecular weight of 275.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclohexyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone is sourced from PubChem (CID 114225578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).