2,3-difluoro-N,4-dimethoxyaniline

C8H9F2NO2 — CID 176996753

IUPAC2,3-difluoro-N,4-dimethoxyaniline
SMILESCONc1ccc(OC)c(F)c1F
InChIInChI=1S/C8H9F2NO2/c1-12-6-4-3-5(11-13-2)7(9)8(6)10/h3-4,11H,1-2H3
InChIKeyDHRBUOGCTVEGHM-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.95
Rot. Bonds3

About 2,3-difluoro-N,4-dimethoxyaniline

2,3-difluoro-N,4-dimethoxyaniline (PubChem CID 176996753) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is 2,3-difluoro-N,4-dimethoxyaniline.

Molecular Properties

Compound Name2,3-difluoro-N,4-dimethoxyaniline
PubChem CID176996753
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC Name2,3-difluoro-N,4-dimethoxyaniline
SMILESCONc1ccc(OC)c(F)c1F
InChIInChI=1S/C8H9F2NO2/c1-12-6-4-3-5(11-13-2)7(9)8(6)10/h3-4,11H,1-2H3
InChIKeyDHRBUOGCTVEGHM-UHFFFAOYSA-N
XLogP1.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-4-methoxy-N-propan-2-ylaniline
CID 118342449
N-ethyl-2,3-difluoro-4-methoxyaniline;hydrochloride
CID 174514684
1-(2,3-difluoro-4-methoxyphenyl)-N-methoxymethanamine
CID 117291369
1-butoxy-2,3-difluoro-4-methoxybenzene
CID 118933366
N-(3-fluoro-2,4-dimethoxyphenyl)formamide
CID 168651681
6-bromo-2-fluoro-3-methoxybenzenethiol
CID 171005747
1-butoxy-2,3-difluoro-4-heptoxybenzene;1-butoxy-2,3-difluoro-4-hexoxybenzene;1-butoxy-2,3-difluoro-4-octoxybenzene;1-butoxy-2,3-difluoro-4-pentoxybenzene;2,3-difluoro-1-methoxy-4-nonoxybenzene;2,3-difluoro-1-methoxy-4-octoxybenzene
CID 159048658
1-bromo-2-ethoxy-3-fluoro-4-methoxybenzene
CID 171000857
2,3-difluoro-1-methoxy-4-[(4-methylphenyl)methoxy]benzene
CID 123795943
1-(1-bromoethyl)-2,3-difluoro-4-methoxybenzene
CID 174526673
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 4879673
2-chloro-1,3-difluoro-4-methoxybenzene
CID 121229982

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N,4-dimethoxyaniline?
The IUPAC name of 2,3-difluoro-N,4-dimethoxyaniline (CID 176996753) is 2,3-difluoro-N,4-dimethoxyaniline.
What is the SMILES notation for 2,3-difluoro-N,4-dimethoxyaniline?
The canonical SMILES for 2,3-difluoro-N,4-dimethoxyaniline is CONc1ccc(OC)c(F)c1F.
What is the InChIKey of 2,3-difluoro-N,4-dimethoxyaniline?
The InChIKey is DHRBUOGCTVEGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2/c1-12-6-4-3-5(11-13-2)7(9)8(6)10/h3-4,11H,1-2H3.
What are the key properties of 2,3-difluoro-N,4-dimethoxyaniline?
2,3-difluoro-N,4-dimethoxyaniline has a molecular weight of 189.16 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N,4-dimethoxyaniline is sourced from PubChem (CID 176996753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).