2-chloro-3,6-difluoro-4-methoxyaniline

C7H6ClF2NO — CID 106701641

IUPAC2-chloro-3,6-difluoro-4-methoxyaniline
SMILESCOc1cc(F)c(N)c(Cl)c1F
InChIInChI=1S/C7H6ClF2NO/c1-12-4-2-3(9)7(11)5(8)6(4)10/h2H,11H2,1H3
InChIKeyWLODRHQWKSLHMO-UHFFFAOYSA-N
MW193.58 g/mol
LogP2.21
Rot. Bonds1

About 2-chloro-3,6-difluoro-4-methoxyaniline

2-chloro-3,6-difluoro-4-methoxyaniline (PubChem CID 106701641) has the molecular formula C7H6ClF2NO and a molecular weight of 193.58 g/mol. Its IUPAC name is 2-chloro-3,6-difluoro-4-methoxyaniline.

Molecular Properties

Compound Name2-chloro-3,6-difluoro-4-methoxyaniline
PubChem CID106701641
Molecular FormulaC7H6ClF2NO
Molecular Weight193.58 g/mol
Exact Mass193.01
IUPAC Name2-chloro-3,6-difluoro-4-methoxyaniline
SMILESCOc1cc(F)c(N)c(Cl)c1F
InChIInChI=1S/C7H6ClF2NO/c1-12-4-2-3(9)7(11)5(8)6(4)10/h2H,11H2,1H3
InChIKeyWLODRHQWKSLHMO-UHFFFAOYSA-N
XLogP2.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.58
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-3,6-difluoro-4-methoxyaniline
CID 106701642
4-chloro-2,3-difluoro-6-methoxyaniline
CID 170781389
3-chloro-2,4,6-trifluoroaniline
CID 71758632
4-amino-3-chloro-2-fluoro-5-methoxybenzoic acid
CID 155684201
2-chloro-1,3-difluoro-4-methoxybenzene
CID 121229982
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
2,5-difluoro-4-methoxyaniline
CID 45090681
1,2,4-trifluoro-3,5-dimethoxybenzene
CID 10535733
5-(chloromethyl)-1,2-difluoro-3-methoxybenzene
CID 130938766
4-amino-3-fluoro-5-methoxybenzenethiol
CID 91874654
3-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-1-amine
CID 84797782
(2,3,6-trifluoro-5-methoxyphenyl)methanamine
CID 117282112

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,6-difluoro-4-methoxyaniline?
The IUPAC name of 2-chloro-3,6-difluoro-4-methoxyaniline (CID 106701641) is 2-chloro-3,6-difluoro-4-methoxyaniline.
What is the SMILES notation for 2-chloro-3,6-difluoro-4-methoxyaniline?
The canonical SMILES for 2-chloro-3,6-difluoro-4-methoxyaniline is COc1cc(F)c(N)c(Cl)c1F.
What is the InChIKey of 2-chloro-3,6-difluoro-4-methoxyaniline?
The InChIKey is WLODRHQWKSLHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NO/c1-12-4-2-3(9)7(11)5(8)6(4)10/h2H,11H2,1H3.
What are the key properties of 2-chloro-3,6-difluoro-4-methoxyaniline?
2-chloro-3,6-difluoro-4-methoxyaniline has a molecular weight of 193.58 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,6-difluoro-4-methoxyaniline is sourced from PubChem (CID 106701641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).