2-[3-(2-fluoroethyl)-4-phenylphenyl]acetate

C16H14FO2- — CID 23618265

IUPAC2-[3-(2-fluoroethyl)-4-phenylphenyl]acetate
SMILESO=C([O-])Cc1ccc(-c2ccccc2)c(CCF)c1
InChIInChI=1S/C16H15FO2/c17-9-8-14-10-12(11-16(18)19)6-7-15(14)13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,18,19)/p-1
InChIKeyCFBARKGMPDFNLP-UHFFFAOYSA-M
MW257.28 g/mol
LogP2.16
Rot. Bonds5

About 2-[3-(2-fluoroethyl)-4-phenylphenyl]acetate

2-[3-(2-fluoroethyl)-4-phenylphenyl]acetate (PubChem CID 23618265) has the molecular formula C16H14FO2- and a molecular weight of 257.28 g/mol. Its IUPAC name is 2-[3-(2-fluoroethyl)-4-phenylphenyl]acetate.

Molecular Properties

Compound Name2-[3-(2-fluoroethyl)-4-phenylphenyl]acetate
PubChem CID23618265
Molecular FormulaC16H14FO2-
Molecular Weight257.28 g/mol
Exact Mass257.10
IUPAC Name2-[3-(2-fluoroethyl)-4-phenylphenyl]acetate
SMILESO=C([O-])Cc1ccc(-c2ccccc2)c(CCF)c1
InChIInChI=1S/C16H15FO2/c17-9-8-14-10-12(11-16(18)19)6-7-15(14)13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,18,19)/p-1
InChIKeyCFBARKGMPDFNLP-UHFFFAOYSA-M
XLogP2.16
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-phenyl-3-(trifluoromethyl)phenyl]acetate
CID 152563260
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2-(9-oxofluoren-3-yl)acetate
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2-(3-methyl-4-phenylphenyl)acetic acid
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lithium 2-phenylacetate
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2-[3-(carboxylatomethyl)phenyl]acetate
CID 6931669
sodium 2-naphthalen-2-ylacetate
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2-(2-phenyl-1,3-benzothiazol-5-yl)acetate
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1-[3-phenyl-6-(2-phenylethyl)azulen-1-yl]ethanone
CID 122403819
3-(4-fluoro-3-phenylphenyl)-2-methylpropanoic acid
CID 117399352
N-[[5-(2-methylprop-2-enyl)-2-phenylphenyl]methyl]benzamide
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2-[3-(4-acetylphenyl)phenyl]acetate
CID 22930376

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoroethyl)-4-phenylphenyl]acetate?
The IUPAC name of 2-[3-(2-fluoroethyl)-4-phenylphenyl]acetate (CID 23618265) is 2-[3-(2-fluoroethyl)-4-phenylphenyl]acetate.
What is the SMILES notation for 2-[3-(2-fluoroethyl)-4-phenylphenyl]acetate?
The canonical SMILES for 2-[3-(2-fluoroethyl)-4-phenylphenyl]acetate is O=C([O-])Cc1ccc(-c2ccccc2)c(CCF)c1.
What is the InChIKey of 2-[3-(2-fluoroethyl)-4-phenylphenyl]acetate?
The InChIKey is CFBARKGMPDFNLP-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H15FO2/c17-9-8-14-10-12(11-16(18)19)6-7-15(14)13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,18,19)/p-1.
What are the key properties of 2-[3-(2-fluoroethyl)-4-phenylphenyl]acetate?
2-[3-(2-fluoroethyl)-4-phenylphenyl]acetate has a molecular weight of 257.28 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoroethyl)-4-phenylphenyl]acetate is sourced from PubChem (CID 23618265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).