5-ethoxy-1,3-difluoro-2-[(E)-2-nitrosoethenyl]benzene

C10H9F2NO2 — CID 144851540

IUPAC5-ethoxy-1,3-difluoro-2-[(E)-2-nitrosoethenyl]benzene
SMILESCCOc1cc(F)c(/C=C/N=O)c(F)c1
InChIInChI=1S/C10H9F2NO2/c1-2-15-7-5-9(11)8(3-4-13-14)10(12)6-7/h3-6H,2H2,1H3/b4-3+
InChIKeyPYQXENSEMNQKGV-ONEGZZNKSA-N
MW213.18 g/mol
LogP3.10
Rot. Bonds4

About 5-ethoxy-1,3-difluoro-2-[(E)-2-nitrosoethenyl]benzene

5-ethoxy-1,3-difluoro-2-[(E)-2-nitrosoethenyl]benzene (PubChem CID 144851540) has the molecular formula C10H9F2NO2 and a molecular weight of 213.18 g/mol. Its IUPAC name is 5-ethoxy-1,3-difluoro-2-[(E)-2-nitrosoethenyl]benzene.

Molecular Properties

Compound Name5-ethoxy-1,3-difluoro-2-[(E)-2-nitrosoethenyl]benzene
PubChem CID144851540
Molecular FormulaC10H9F2NO2
Molecular Weight213.18 g/mol
Exact Mass213.06
IUPAC Name5-ethoxy-1,3-difluoro-2-[(E)-2-nitrosoethenyl]benzene
SMILESCCOc1cc(F)c(/C=C/N=O)c(F)c1
InChIInChI=1S/C10H9F2NO2/c1-2-15-7-5-9(11)8(3-4-13-14)10(12)6-7/h3-6H,2H2,1H3/b4-3+
InChIKeyPYQXENSEMNQKGV-ONEGZZNKSA-N
XLogP3.10
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-ethoxy-1,3-difluorobenzene
CID 118847384
[(4-ethoxy-2,6-difluorophenyl)methylideneamino]thiourea
CID 168536405
2-(4-ethoxy-2,6-difluorophenyl)acetonitrile
CID 46737617
ethyl 3-(2,6-difluoro-4-methoxyphenyl)prop-2-enoate
CID 76571776
3-(4-ethoxy-2-fluorophenyl)propanal
CID 117286118
2-(4-ethoxy-2-fluorophenyl)ethanol
CID 117279842
1-bromo-3,5-diethoxybenzene
CID 150473293
3-(4-ethoxy-2-fluorophenyl)prop-2-en-1-amine
CID 169463810
5-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,2,3-trifluorobenzene
CID 19039041
1-bromo-5-ethoxy-2-fluoro-3-methylbenzene
CID 164891518
ethyl 2-(4-ethoxy-2,6-difluorophenyl)-2-methoxyacetate
CID 67370552
2-amino-2-(4-ethoxy-2-fluorophenyl)acetic acid
CID 84679537

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1,3-difluoro-2-[(E)-2-nitrosoethenyl]benzene?
The IUPAC name of 5-ethoxy-1,3-difluoro-2-[(E)-2-nitrosoethenyl]benzene (CID 144851540) is 5-ethoxy-1,3-difluoro-2-[(E)-2-nitrosoethenyl]benzene.
What is the SMILES notation for 5-ethoxy-1,3-difluoro-2-[(E)-2-nitrosoethenyl]benzene?
The canonical SMILES for 5-ethoxy-1,3-difluoro-2-[(E)-2-nitrosoethenyl]benzene is CCOc1cc(F)c(/C=C/N=O)c(F)c1.
What is the InChIKey of 5-ethoxy-1,3-difluoro-2-[(E)-2-nitrosoethenyl]benzene?
The InChIKey is PYQXENSEMNQKGV-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H9F2NO2/c1-2-15-7-5-9(11)8(3-4-13-14)10(12)6-7/h3-6H,2H2,1H3/b4-3+.
What are the key properties of 5-ethoxy-1,3-difluoro-2-[(E)-2-nitrosoethenyl]benzene?
5-ethoxy-1,3-difluoro-2-[(E)-2-nitrosoethenyl]benzene has a molecular weight of 213.18 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1,3-difluoro-2-[(E)-2-nitrosoethenyl]benzene is sourced from PubChem (CID 144851540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).