[5-(diethoxymethyl)thiophen-3-yl]-(2-fluorophenyl)methanone

C16H17FO3S — CID 18357700

IUPAC[5-(diethoxymethyl)thiophen-3-yl]-(2-fluorophenyl)methanone
SMILESCCOC(OCC)c1cc(C(=O)c2ccccc2F)cs1
InChIInChI=1S/C16H17FO3S/c1-3-19-16(20-4-2)14-9-11(10-21-14)15(18)12-7-5-6-8-13(12)17/h5-10,16H,3-4H2,1-2H3
InChIKeyIICYBSXCMXBGFN-UHFFFAOYSA-N
MW308.37 g/mol
LogP4.19
Rot. Bonds7

About [5-(diethoxymethyl)thiophen-3-yl]-(2-fluorophenyl)methanone

[5-(diethoxymethyl)thiophen-3-yl]-(2-fluorophenyl)methanone (PubChem CID 18357700) has the molecular formula C16H17FO3S and a molecular weight of 308.37 g/mol. Its IUPAC name is [5-(diethoxymethyl)thiophen-3-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[5-(diethoxymethyl)thiophen-3-yl]-(2-fluorophenyl)methanone
PubChem CID18357700
Molecular FormulaC16H17FO3S
Molecular Weight308.37 g/mol
Exact Mass308.09
IUPAC Name[5-(diethoxymethyl)thiophen-3-yl]-(2-fluorophenyl)methanone
SMILESCCOC(OCC)c1cc(C(=O)c2ccccc2F)cs1
InChIInChI=1S/C16H17FO3S/c1-3-19-16(20-4-2)14-9-11(10-21-14)15(18)12-7-5-6-8-13(12)17/h5-10,16H,3-4H2,1-2H3
InChIKeyIICYBSXCMXBGFN-UHFFFAOYSA-N
XLogP4.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(5-chlorothiophen-3-yl)-(2-fluorophenyl)methanone
CID 130815562
(3,4-diethoxyphenyl)-(2-fluorophenyl)methanone
CID 43337653
[2-(diethoxymethyl)phenyl]-(2,3-difluorophenyl)methanone
CID 164915429
(2-ethylphenyl)-(2-fluorophenyl)methanone
CID 83393999
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
(3-bromo-5-methylphenyl)-(2-fluorophenyl)methanone
CID 114965994
(2-fluorophenyl)-(4-hydroxyphenyl)methanone
CID 2783235
ethyl 2-[(2-fluorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 759977
1-(propylamino)propan-2-yl 2-fluorobenzoate
CID 82532670
[2-(difluoromethoxy)phenyl]-(5-methylthiophen-3-yl)methanone
CID 114976117
ethane-1,2-diol;[4-[4-(2-fluorobenzoyl)phenoxy]phenyl]-(2-fluorophenyl)methanone
CID 71774691
2-(5-ethylthiophen-2-yl)-1-(2-fluorophenyl)ethanone
CID 55181131

Frequently Asked Questions

What is the IUPAC name of [5-(diethoxymethyl)thiophen-3-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [5-(diethoxymethyl)thiophen-3-yl]-(2-fluorophenyl)methanone (CID 18357700) is [5-(diethoxymethyl)thiophen-3-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [5-(diethoxymethyl)thiophen-3-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [5-(diethoxymethyl)thiophen-3-yl]-(2-fluorophenyl)methanone is CCOC(OCC)c1cc(C(=O)c2ccccc2F)cs1.
What is the InChIKey of [5-(diethoxymethyl)thiophen-3-yl]-(2-fluorophenyl)methanone?
The InChIKey is IICYBSXCMXBGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3S/c1-3-19-16(20-4-2)14-9-11(10-21-14)15(18)12-7-5-6-8-13(12)17/h5-10,16H,3-4H2,1-2H3.
What are the key properties of [5-(diethoxymethyl)thiophen-3-yl]-(2-fluorophenyl)methanone?
[5-(diethoxymethyl)thiophen-3-yl]-(2-fluorophenyl)methanone has a molecular weight of 308.37 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(diethoxymethyl)thiophen-3-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 18357700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).