ethyl (2S)-2-(4-bromophenyl)-2-fluoroacetate

C10H10BrFO2 — CID 125041350

IUPACethyl (2S)-2-(4-bromophenyl)-2-fluoroacetate
SMILESCCOC(=O)[C@@H](F)c1ccc(Br)cc1
InChIInChI=1S/C10H10BrFO2/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3/t9-/m0/s1
InChIKeyNMCSBINOVVAVEP-VIFPVBQESA-N
MW261.09 g/mol
LogP3.02
Rot. Bonds3

About ethyl (2S)-2-(4-bromophenyl)-2-fluoroacetate

ethyl (2S)-2-(4-bromophenyl)-2-fluoroacetate (PubChem CID 125041350) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is ethyl (2S)-2-(4-bromophenyl)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl (2S)-2-(4-bromophenyl)-2-fluoroacetate
PubChem CID125041350
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Nameethyl (2S)-2-(4-bromophenyl)-2-fluoroacetate
SMILESCCOC(=O)[C@@H](F)c1ccc(Br)cc1
InChIInChI=1S/C10H10BrFO2/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3/t9-/m0/s1
InChIKeyNMCSBINOVVAVEP-VIFPVBQESA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-fluoro-2-(4-methylphenyl)acetate
CID 15712195
ethyl 2-fluoro-2-(4-hydroxyphenyl)acetate
CID 105451309
ethyl 2-[(4-bromophenyl)-fluoromethyl]prop-2-enoate
CID 165388443
ethyl 2-(4-tert-butylphenyl)-2-fluoroacetate
CID 79367067
ethyl 2-fluoro-2-(4-nitrosophenyl)acetate
CID 174499307
ethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate
CID 94376499
ethyl 2-fluoro-2-(4-phenylphenyl)acetate
CID 21405824
ethyl 2-(4-bromophenyl)butanoate
CID 57082745
ethyl 2-fluoro-2-(4-fluoro-3-methylphenyl)acetate
CID 79366877
2-(4-bromophenyl)-3-ethoxy-3-oxopropanoic acid
CID 23372308
ethyl 2-(4-bromophenyl)-2-ethoxyacetate
CID 12714669
ethyl 2-fluoro-2-(4-nitrophenyl)acetate
CID 132529905

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(4-bromophenyl)-2-fluoroacetate?
The IUPAC name of ethyl (2S)-2-(4-bromophenyl)-2-fluoroacetate (CID 125041350) is ethyl (2S)-2-(4-bromophenyl)-2-fluoroacetate.
What is the SMILES notation for ethyl (2S)-2-(4-bromophenyl)-2-fluoroacetate?
The canonical SMILES for ethyl (2S)-2-(4-bromophenyl)-2-fluoroacetate is CCOC(=O)[C@@H](F)c1ccc(Br)cc1.
What is the InChIKey of ethyl (2S)-2-(4-bromophenyl)-2-fluoroacetate?
The InChIKey is NMCSBINOVVAVEP-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10BrFO2/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3/t9-/m0/s1.
What are the key properties of ethyl (2S)-2-(4-bromophenyl)-2-fluoroacetate?
ethyl (2S)-2-(4-bromophenyl)-2-fluoroacetate has a molecular weight of 261.09 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(4-bromophenyl)-2-fluoroacetate is sourced from PubChem (CID 125041350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).