N-fluoro-3,4-dimethoxyaniline

C8H10FNO2 — CID 91259644

IUPACN-fluoro-3,4-dimethoxyaniline
SMILESCOc1ccc(NF)cc1OC
InChIInChI=1S/C8H10FNO2/c1-11-7-4-3-6(10-9)5-8(7)12-2/h3-5,10H,1-2H3
InChIKeyJGMURIRXBWECES-UHFFFAOYSA-N
MW171.17 g/mol
LogP2.00
Rot. Bonds3

About N-fluoro-3,4-dimethoxyaniline

N-fluoro-3,4-dimethoxyaniline (PubChem CID 91259644) has the molecular formula C8H10FNO2 and a molecular weight of 171.17 g/mol. Its IUPAC name is N-fluoro-3,4-dimethoxyaniline.

Molecular Properties

Compound NameN-fluoro-3,4-dimethoxyaniline
PubChem CID91259644
Molecular FormulaC8H10FNO2
Molecular Weight171.17 g/mol
Exact Mass171.07
IUPAC NameN-fluoro-3,4-dimethoxyaniline
SMILESCOc1ccc(NF)cc1OC
InChIInChI=1S/C8H10FNO2/c1-11-7-4-3-6(10-9)5-8(7)12-2/h3-5,10H,1-2H3
InChIKeyJGMURIRXBWECES-UHFFFAOYSA-N
XLogP2.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethoxyphenyl)methanethioamide
CID 23047574
1-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)hydrazine
CID 67614674
1-N',2-N'-bis(3,4-dimethoxyphenyl)ethanedihydrazide
CID 138619994
(3,4-dimethoxyphenyl)urea
CID 21197430
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
1-(3,4-dimethoxyphenyl)-2-methylguanidine
CID 62381082
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxyaniline
CID 46021712
N-(2,6-dimethylheptan-4-yl)-3,4-dimethoxyaniline
CID 29054156
N-butyl-N'-(3,4-dimethoxyphenyl)ethane-1,2-diamine
CID 14998841
3-N-(3,4-dimethoxyphenyl)-5-fluorobenzene-1,3-diamine
CID 60876893
(2R)-1-(3,4-dimethoxyanilino)propan-2-ol
CID 39242812
1-N-(3,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62911783

Frequently Asked Questions

What is the IUPAC name of N-fluoro-3,4-dimethoxyaniline?
The IUPAC name of N-fluoro-3,4-dimethoxyaniline (CID 91259644) is N-fluoro-3,4-dimethoxyaniline.
What is the SMILES notation for N-fluoro-3,4-dimethoxyaniline?
The canonical SMILES for N-fluoro-3,4-dimethoxyaniline is COc1ccc(NF)cc1OC.
What is the InChIKey of N-fluoro-3,4-dimethoxyaniline?
The InChIKey is JGMURIRXBWECES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2/c1-11-7-4-3-6(10-9)5-8(7)12-2/h3-5,10H,1-2H3.
What are the key properties of N-fluoro-3,4-dimethoxyaniline?
N-fluoro-3,4-dimethoxyaniline has a molecular weight of 171.17 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-3,4-dimethoxyaniline is sourced from PubChem (CID 91259644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).