2,2-bis(4-fluorophenyl)ethyl 2-aminoacetate

C16H15F2NO2 — CID 145114209

IUPAC2,2-bis(4-fluorophenyl)ethyl 2-aminoacetate
SMILESNCC(=O)OCC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H15F2NO2/c17-13-5-1-11(2-6-13)15(10-21-16(20)9-19)12-3-7-14(18)8-4-12/h1-8,15H,9-10,19H2
InChIKeyYMMLHDPBZDWLOO-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.60
Rot. Bonds5

About 2,2-bis(4-fluorophenyl)ethyl 2-aminoacetate

2,2-bis(4-fluorophenyl)ethyl 2-aminoacetate (PubChem CID 145114209) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2,2-bis(4-fluorophenyl)ethyl 2-aminoacetate.

Molecular Properties

Compound Name2,2-bis(4-fluorophenyl)ethyl 2-aminoacetate
PubChem CID145114209
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name2,2-bis(4-fluorophenyl)ethyl 2-aminoacetate
SMILESNCC(=O)OCC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H15F2NO2/c17-13-5-1-11(2-6-13)15(10-21-16(20)9-19)12-3-7-14(18)8-4-12/h1-8,15H,9-10,19H2
InChIKeyYMMLHDPBZDWLOO-UHFFFAOYSA-N
XLogP2.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3,3-bis(4-fluorophenyl)propanoate
CID 23522917
[3-carbamoyloxy-2-(4-fluorophenyl)propyl] carbamate
CID 10332621
1-(4-fluorophenyl)ethyl 5-amino-4-oxopentanoate
CID 174434661
1-fluoro-4-[2-fluoro-1-(4-fluorophenyl)ethyl]benzene
CID 170783572
1-(4-fluorophenyl)ethyl 5-amino-4-oxopentanoate;hydrochloride
CID 174434660
[1-[(4-fluorophenyl)methyl]cyclopropyl] 2-aminoacetate
CID 90873391
ethyl (3S)-3-amino-3-(4-fluorophenyl)propanoate
CID 723060
methyl 2-(4-fluorophenyl)-3-methoxypropanoate
CID 117245338
3-ethoxy-2-(4-fluorophenyl)propanoic acid
CID 103984158
dimethyl (2R)-2-(4-fluorophenyl)butanedioate
CID 94675067
2-(4-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 82023270
(3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 89304540

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-fluorophenyl)ethyl 2-aminoacetate?
The IUPAC name of 2,2-bis(4-fluorophenyl)ethyl 2-aminoacetate (CID 145114209) is 2,2-bis(4-fluorophenyl)ethyl 2-aminoacetate.
What is the SMILES notation for 2,2-bis(4-fluorophenyl)ethyl 2-aminoacetate?
The canonical SMILES for 2,2-bis(4-fluorophenyl)ethyl 2-aminoacetate is NCC(=O)OCC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2,2-bis(4-fluorophenyl)ethyl 2-aminoacetate?
The InChIKey is YMMLHDPBZDWLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c17-13-5-1-11(2-6-13)15(10-21-16(20)9-19)12-3-7-14(18)8-4-12/h1-8,15H,9-10,19H2.
What are the key properties of 2,2-bis(4-fluorophenyl)ethyl 2-aminoacetate?
2,2-bis(4-fluorophenyl)ethyl 2-aminoacetate has a molecular weight of 291.30 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-fluorophenyl)ethyl 2-aminoacetate is sourced from PubChem (CID 145114209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).