2-(2-chloro-4-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone

C14H17ClFNO2 — CID 116588089

IUPAC2-(2-chloro-4-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
SMILESCCNC1COCC1C(=O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C14H17ClFNO2/c1-2-17-13-8-19-7-11(13)14(18)5-9-3-4-10(16)6-12(9)15/h3-4,6,11,13,17H,2,5,7-8H2,1H3
InChIKeyZPDZXBGPHNZQMW-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.22
Rot. Bonds5

About 2-(2-chloro-4-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone

2-(2-chloro-4-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone (PubChem CID 116588089) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
PubChem CID116588089
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
SMILESCCNC1COCC1C(=O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C14H17ClFNO2/c1-2-17-13-8-19-7-11(13)14(18)5-9-3-4-10(16)6-12(9)15/h3-4,6,11,13,17H,2,5,7-8H2,1H3
InChIKeyZPDZXBGPHNZQMW-UHFFFAOYSA-N
XLogP2.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116587940
2-(2-bromo-3-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116588148
N-(2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259805
2-(2,5-dichlorophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587823
N-(2-bromo-6-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 107611920
N-(2-bromo-5-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 107625654
2-(2-amino-3-pyridinyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116588194
N-(2-ethoxy-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259259
2-(2-chloro-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanone
CID 114967227
1-(2-aminocyclohexyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 116579921
N-(2-chlorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259041
4-(ethylamino)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide
CID 66258659

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone (CID 116588089) is 2-(2-chloro-4-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone is CCNC1COCC1C(=O)Cc1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone?
The InChIKey is ZPDZXBGPHNZQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c1-2-17-13-8-19-7-11(13)14(18)5-9-3-4-10(16)6-12(9)15/h3-4,6,11,13,17H,2,5,7-8H2,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone?
2-(2-chloro-4-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone has a molecular weight of 285.75 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone is sourced from PubChem (CID 116588089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).