2-(2,6-difluoro-3-nitrophenyl)ethanol

C8H7F2NO3 — CID 130047508

IUPAC2-(2,6-difluoro-3-nitrophenyl)ethanol
SMILESO=[N+]([O-])c1ccc(F)c(CCO)c1F
InChIInChI=1S/C8H7F2NO3/c9-6-1-2-7(11(13)14)8(10)5(6)3-4-12/h1-2,12H,3-4H2
InChIKeyRVPYIGYWKDUBNZ-UHFFFAOYSA-N
MW203.14 g/mol
LogP1.41
Rot. Bonds3

About 2-(2,6-difluoro-3-nitrophenyl)ethanol

2-(2,6-difluoro-3-nitrophenyl)ethanol (PubChem CID 130047508) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-nitrophenyl)ethanol.

Molecular Properties

Compound Name2-(2,6-difluoro-3-nitrophenyl)ethanol
PubChem CID130047508
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name2-(2,6-difluoro-3-nitrophenyl)ethanol
SMILESO=[N+]([O-])c1ccc(F)c(CCO)c1F
InChIInChI=1S/C8H7F2NO3/c9-6-1-2-7(11(13)14)8(10)5(6)3-4-12/h1-2,12H,3-4H2
InChIKeyRVPYIGYWKDUBNZ-UHFFFAOYSA-N
XLogP1.41
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-amino-2-fluoro-6-nitrophenyl)ethanol
CID 20792213
2-(4-fluoro-3-nitrophenyl)ethanol
CID 11252405
2-(2,3-difluoro-6-nitrophenyl)acetate
CID 86306842
2,6-difluoro-N-(2-hydroxyethyl)-N-methyl-3-nitrobenzamide
CID 79773192
2,2-difluoro-N-[2-fluoro-3-(2-hydroxyethyl)-4-nitrophenyl]propanamide
CID 20792211
2,6-difluoro-3-nitrobenzamide
CID 2780101
4-(2,3-difluoro-6-nitroanilino)butan-1-ol
CID 106842471
3-(2,6-difluoro-3-nitrophenyl)-3-oxopropanoic acid
CID 170887010
3-bromo-1,2-difluoro-4-nitrobenzene
CID 574589
2,6-difluoro-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 79755848
2-(3,6-difluoro-2-nitrophenyl)acetic acid
CID 131580413
N-(2,2-difluoroethyl)-2,6-difluoro-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 107479182

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-nitrophenyl)ethanol?
The IUPAC name of 2-(2,6-difluoro-3-nitrophenyl)ethanol (CID 130047508) is 2-(2,6-difluoro-3-nitrophenyl)ethanol.
What is the SMILES notation for 2-(2,6-difluoro-3-nitrophenyl)ethanol?
The canonical SMILES for 2-(2,6-difluoro-3-nitrophenyl)ethanol is O=[N+]([O-])c1ccc(F)c(CCO)c1F.
What is the InChIKey of 2-(2,6-difluoro-3-nitrophenyl)ethanol?
The InChIKey is RVPYIGYWKDUBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c9-6-1-2-7(11(13)14)8(10)5(6)3-4-12/h1-2,12H,3-4H2.
What are the key properties of 2-(2,6-difluoro-3-nitrophenyl)ethanol?
2-(2,6-difluoro-3-nitrophenyl)ethanol has a molecular weight of 203.14 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3-nitrophenyl)ethanol is sourced from PubChem (CID 130047508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).