1-(2-ethoxyethyl)-2,3-difluorobenzene

C10H12F2O — CID 57195328

IUPAC1-(2-ethoxyethyl)-2,3-difluorobenzene
SMILESCCOCCc1cccc(F)c1F
InChIInChI=1S/C10H12F2O/c1-2-13-7-6-8-4-3-5-9(11)10(8)12/h3-5H,2,6-7H2,1H3
InChIKeyMRHSFLDODGVXTG-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.54
Rot. Bonds4

About 1-(2-ethoxyethyl)-2,3-difluorobenzene

1-(2-ethoxyethyl)-2,3-difluorobenzene (PubChem CID 57195328) has the molecular formula C10H12F2O and a molecular weight of 186.20 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-2,3-difluorobenzene.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-2,3-difluorobenzene
PubChem CID57195328
Molecular FormulaC10H12F2O
Molecular Weight186.20 g/mol
Exact Mass186.09
IUPAC Name1-(2-ethoxyethyl)-2,3-difluorobenzene
SMILESCCOCCc1cccc(F)c1F
InChIInChI=1S/C10H12F2O/c1-2-13-7-6-8-4-3-5-9(11)10(8)12/h3-5H,2,6-7H2,1H3
InChIKeyMRHSFLDODGVXTG-UHFFFAOYSA-N
XLogP2.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,3-difluorophenyl)ethyl]-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide
CID 111566636
(2R)-4-(2,3-difluorophenyl)butan-2-amine
CID 93318671
1-ethyl-2,3-difluorobenzene;methanamine
CID 143205868
2-(2-ethoxyethyl)aniline
CID 14619442
2-[(2,3-difluorophenyl)methoxy]ethanamine
CID 62343610
1-fluoro-2-(2-pentoxyethyl)benzene
CID 91695654
3-(2,3-difluorophenyl)propan-1-ol
CID 53434260
1-(3-bromopropyl)-2,3-difluorobenzene
CID 53433974
(2,3-difluorophenyl)methanamine
CID 2736941
2-[[bis(2-ethoxyethyl)amino]methyl]-6-fluorophenol
CID 115958911
1-(2,3-difluorophenyl)-4-propoxybutan-2-one
CID 105091205
2-[(2-ethoxyethylamino)methyl]-6-fluorophenol
CID 112606435

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-2,3-difluorobenzene?
The IUPAC name of 1-(2-ethoxyethyl)-2,3-difluorobenzene (CID 57195328) is 1-(2-ethoxyethyl)-2,3-difluorobenzene.
What is the SMILES notation for 1-(2-ethoxyethyl)-2,3-difluorobenzene?
The canonical SMILES for 1-(2-ethoxyethyl)-2,3-difluorobenzene is CCOCCc1cccc(F)c1F.
What is the InChIKey of 1-(2-ethoxyethyl)-2,3-difluorobenzene?
The InChIKey is MRHSFLDODGVXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O/c1-2-13-7-6-8-4-3-5-9(11)10(8)12/h3-5H,2,6-7H2,1H3.
What are the key properties of 1-(2-ethoxyethyl)-2,3-difluorobenzene?
1-(2-ethoxyethyl)-2,3-difluorobenzene has a molecular weight of 186.20 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-2,3-difluorobenzene is sourced from PubChem (CID 57195328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).