2-(difluoromethyl)-4-methoxyaniline

C8H9F2NO — CID 45091134

IUPAC2-(difluoromethyl)-4-methoxyaniline
SMILESCOc1ccc(N)c(C(F)F)c1
InChIInChI=1S/C8H9F2NO/c1-12-5-2-3-7(11)6(4-5)8(9)10/h2-4,8H,11H2,1H3
InChIKeyLOWSWBJBXLTLHP-UHFFFAOYSA-N
MW173.16 g/mol
LogP2.21
Rot. Bonds2

About 2-(difluoromethyl)-4-methoxyaniline

2-(difluoromethyl)-4-methoxyaniline (PubChem CID 45091134) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-methoxyaniline.

Molecular Properties

Compound Name2-(difluoromethyl)-4-methoxyaniline
PubChem CID45091134
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name2-(difluoromethyl)-4-methoxyaniline
SMILESCOc1ccc(N)c(C(F)F)c1
InChIInChI=1S/C8H9F2NO/c1-12-5-2-3-7(11)6(4-5)8(9)10/h2-4,8H,11H2,1H3
InChIKeyLOWSWBJBXLTLHP-UHFFFAOYSA-N
XLogP2.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-amino-1-(2-amino-5-methoxyphenyl)propan-2-ol
CID 130000045
1-(2-amino-5-methoxyphenyl)-2-methylpropan-1-ol
CID 105449197
2-(2-amino-5-methoxyphenyl)propanenitrile
CID 10464838
4-(2,2-difluoroethoxy)-2-(difluoromethyl)aniline
CID 155818639
2-fluoro-4-methoxyaniline
CID 3756383
1-(2-amino-5-methoxyphenyl)butan-1-ol
CID 112541122
(2-amino-5-methoxyphenyl)-cyclopropylmethanol
CID 105447147
(3S)-3-amino-3-(2-amino-5-methoxyphenyl)propanenitrile
CID 130625338
ethyl 2-(2-amino-5-methoxyphenyl)propanoate
CID 106987688
1,2,3,4,5-pentachloro-6-[2-(difluoromethyl)-4-methoxyphenyl]benzene
CID 134617265
1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-amine
CID 117306605
2-[(1R)-1-amino-2,2-difluoroethyl]-4-methoxyphenol
CID 130612678

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-methoxyaniline?
The IUPAC name of 2-(difluoromethyl)-4-methoxyaniline (CID 45091134) is 2-(difluoromethyl)-4-methoxyaniline.
What is the SMILES notation for 2-(difluoromethyl)-4-methoxyaniline?
The canonical SMILES for 2-(difluoromethyl)-4-methoxyaniline is COc1ccc(N)c(C(F)F)c1.
What is the InChIKey of 2-(difluoromethyl)-4-methoxyaniline?
The InChIKey is LOWSWBJBXLTLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-12-5-2-3-7(11)6(4-5)8(9)10/h2-4,8H,11H2,1H3.
What are the key properties of 2-(difluoromethyl)-4-methoxyaniline?
2-(difluoromethyl)-4-methoxyaniline has a molecular weight of 173.16 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-methoxyaniline is sourced from PubChem (CID 45091134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).