ethyl 2-fluoro-2-(4-nitrosophenyl)acetate

C10H10FNO3 — CID 174499307

IUPACethyl 2-fluoro-2-(4-nitrosophenyl)acetate
SMILESCCOC(=O)C(F)c1ccc(N=O)cc1
InChIInChI=1S/C10H10FNO3/c1-2-15-10(13)9(11)7-3-5-8(12-14)6-4-7/h3-6,9H,2H2,1H3
InChIKeyUCWDVNWJZWOERK-UHFFFAOYSA-N
MW211.19 g/mol
LogP2.66
Rot. Bonds4

About ethyl 2-fluoro-2-(4-nitrosophenyl)acetate

ethyl 2-fluoro-2-(4-nitrosophenyl)acetate (PubChem CID 174499307) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(4-nitrosophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(4-nitrosophenyl)acetate
PubChem CID174499307
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Nameethyl 2-fluoro-2-(4-nitrosophenyl)acetate
SMILESCCOC(=O)C(F)c1ccc(N=O)cc1
InChIInChI=1S/C10H10FNO3/c1-2-15-10(13)9(11)7-3-5-8(12-14)6-4-7/h3-6,9H,2H2,1H3
InChIKeyUCWDVNWJZWOERK-UHFFFAOYSA-N
XLogP2.66
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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 (2S)-2-(4-bromophenyl)-2-fluoroacetate
CID 125041350
ethyl 2-(4-tert-butylphenyl)-2-fluoroacetate
CID 79367067
ethyl 2-fluoro-2-(4-phenylphenyl)acetate
CID 21405824
ethyl 2-fluoro-2-(4-fluoro-3-methylphenyl)acetate
CID 79366877
ethyl 2-fluoro-2-(4-nitrophenyl)acetate
CID 132529905
ethyl 2-fluoro-2-(furan-3-yl)acetate
CID 79366156
ethyl 2-[3,5-bis(trifluoromethyl)phenyl]-2-fluoroacetate
CID 134832982
diethyl 2,3-difluorobutanedioate
CID 12868425
ethyl 3-(4-ethylphenyl)-2-fluoro-3-hydroxypropanoate
CID 79366833
ethyl (2S,3S)-3-(4-chlorophenyl)-2-fluoro-3-hydroxypropanoate
CID 11276671

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(4-nitrosophenyl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(4-nitrosophenyl)acetate (CID 174499307) is ethyl 2-fluoro-2-(4-nitrosophenyl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(4-nitrosophenyl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(4-nitrosophenyl)acetate is CCOC(=O)C(F)c1ccc(N=O)cc1.
What is the InChIKey of ethyl 2-fluoro-2-(4-nitrosophenyl)acetate?
The InChIKey is UCWDVNWJZWOERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c1-2-15-10(13)9(11)7-3-5-8(12-14)6-4-7/h3-6,9H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-2-(4-nitrosophenyl)acetate?
ethyl 2-fluoro-2-(4-nitrosophenyl)acetate has a molecular weight of 211.19 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(4-nitrosophenyl)acetate is sourced from PubChem (CID 174499307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).