2-chloro-4,6-difluoro-N-(1-methoxypropan-2-yl)aniline

C10H12ClF2NO — CID 83082122

IUPAC2-chloro-4,6-difluoro-N-(1-methoxypropan-2-yl)aniline
SMILESCOCC(C)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C10H12ClF2NO/c1-6(5-15-2)14-10-8(11)3-7(12)4-9(10)13/h3-4,6,14H,5H2,1-2H3
InChIKeyPTWKAJLTKHXHRH-UHFFFAOYSA-N
MW235.66 g/mol
LogP3.07
Rot. Bonds4

About 2-chloro-4,6-difluoro-N-(1-methoxypropan-2-yl)aniline

2-chloro-4,6-difluoro-N-(1-methoxypropan-2-yl)aniline (PubChem CID 83082122) has the molecular formula C10H12ClF2NO and a molecular weight of 235.66 g/mol. Its IUPAC name is 2-chloro-4,6-difluoro-N-(1-methoxypropan-2-yl)aniline.

Molecular Properties

Compound Name2-chloro-4,6-difluoro-N-(1-methoxypropan-2-yl)aniline
PubChem CID83082122
Molecular FormulaC10H12ClF2NO
Molecular Weight235.66 g/mol
Exact Mass235.06
IUPAC Name2-chloro-4,6-difluoro-N-(1-methoxypropan-2-yl)aniline
SMILESCOCC(C)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C10H12ClF2NO/c1-6(5-15-2)14-10-8(11)3-7(12)4-9(10)13/h3-4,6,14H,5H2,1-2H3
InChIKeyPTWKAJLTKHXHRH-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.66
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4,6-difluoro-N-heptan-2-ylaniline
CID 83081813
2-chloro-4,6-difluoro-N-nonan-2-ylaniline
CID 83081084
2-chloro-4,6-difluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114830635
1-amino-3-(2-chloro-4,6-difluorophenyl)-2-(1-methoxypropan-2-yl)guanidine
CID 104887980
N-(2-chloro-4,6-difluorophenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106578706
2-chloro-4,6-difluoro-N-[4-(3-methylphenyl)butan-2-yl]aniline
CID 83073633
2-chloro-4,6-difluoro-N-(2-methyl-1-phenylpropyl)aniline
CID 83081256
2,6-dichloro-4-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114830625
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43758401
5-fluoro-N-[(2R)-1-methoxypropan-2-yl]-2-methylaniline
CID 94473006
5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline
CID 62534108
2-chloro-N-(1-methoxypropan-2-yl)-6-methylaniline
CID 66251264

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-difluoro-N-(1-methoxypropan-2-yl)aniline?
The IUPAC name of 2-chloro-4,6-difluoro-N-(1-methoxypropan-2-yl)aniline (CID 83082122) is 2-chloro-4,6-difluoro-N-(1-methoxypropan-2-yl)aniline.
What is the SMILES notation for 2-chloro-4,6-difluoro-N-(1-methoxypropan-2-yl)aniline?
The canonical SMILES for 2-chloro-4,6-difluoro-N-(1-methoxypropan-2-yl)aniline is COCC(C)Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of 2-chloro-4,6-difluoro-N-(1-methoxypropan-2-yl)aniline?
The InChIKey is PTWKAJLTKHXHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2NO/c1-6(5-15-2)14-10-8(11)3-7(12)4-9(10)13/h3-4,6,14H,5H2,1-2H3.
What are the key properties of 2-chloro-4,6-difluoro-N-(1-methoxypropan-2-yl)aniline?
2-chloro-4,6-difluoro-N-(1-methoxypropan-2-yl)aniline has a molecular weight of 235.66 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-difluoro-N-(1-methoxypropan-2-yl)aniline is sourced from PubChem (CID 83082122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).