[4-(ethylamino)oxolan-3-yl]-(2-fluoro-3-methoxyphenyl)methanone

C14H18FNO3 — CID 116588117

IUPAC[4-(ethylamino)oxolan-3-yl]-(2-fluoro-3-methoxyphenyl)methanone
SMILESCCNC1COCC1C(=O)c1cccc(OC)c1F
InChIInChI=1S/C14H18FNO3/c1-3-16-11-8-19-7-10(11)14(17)9-5-4-6-12(18-2)13(9)15/h4-6,10-11,16H,3,7-8H2,1-2H3
InChIKeyWSRKDMSYSNEZAC-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.64
Rot. Bonds5

About [4-(ethylamino)oxolan-3-yl]-(2-fluoro-3-methoxyphenyl)methanone

[4-(ethylamino)oxolan-3-yl]-(2-fluoro-3-methoxyphenyl)methanone (PubChem CID 116588117) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is [4-(ethylamino)oxolan-3-yl]-(2-fluoro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(ethylamino)oxolan-3-yl]-(2-fluoro-3-methoxyphenyl)methanone
PubChem CID116588117
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name[4-(ethylamino)oxolan-3-yl]-(2-fluoro-3-methoxyphenyl)methanone
SMILESCCNC1COCC1C(=O)c1cccc(OC)c1F
InChIInChI=1S/C14H18FNO3/c1-3-16-11-8-19-7-10(11)14(17)9-5-4-6-12(18-2)13(9)15/h4-6,10-11,16H,3,7-8H2,1-2H3
InChIKeyWSRKDMSYSNEZAC-UHFFFAOYSA-N
XLogP1.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)oxolan-3-yl]-(2-fluoro-3-methoxyphenyl)methanone?
The IUPAC name of [4-(ethylamino)oxolan-3-yl]-(2-fluoro-3-methoxyphenyl)methanone (CID 116588117) is [4-(ethylamino)oxolan-3-yl]-(2-fluoro-3-methoxyphenyl)methanone.
What is the SMILES notation for [4-(ethylamino)oxolan-3-yl]-(2-fluoro-3-methoxyphenyl)methanone?
The canonical SMILES for [4-(ethylamino)oxolan-3-yl]-(2-fluoro-3-methoxyphenyl)methanone is CCNC1COCC1C(=O)c1cccc(OC)c1F.
What is the InChIKey of [4-(ethylamino)oxolan-3-yl]-(2-fluoro-3-methoxyphenyl)methanone?
The InChIKey is WSRKDMSYSNEZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-3-16-11-8-19-7-10(11)14(17)9-5-4-6-12(18-2)13(9)15/h4-6,10-11,16H,3,7-8H2,1-2H3.
What are the key properties of [4-(ethylamino)oxolan-3-yl]-(2-fluoro-3-methoxyphenyl)methanone?
[4-(ethylamino)oxolan-3-yl]-(2-fluoro-3-methoxyphenyl)methanone has a molecular weight of 267.30 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)oxolan-3-yl]-(2-fluoro-3-methoxyphenyl)methanone is sourced from PubChem (CID 116588117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).