2,4,6-trichloro-N-(2,2-difluoroethyl)aniline

C8H6Cl3F2N — CID 60922157

IUPAC2,4,6-trichloro-N-(2,2-difluoroethyl)aniline
SMILESFC(F)CNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl3F2N/c9-4-1-5(10)8(6(11)2-4)14-3-7(12)13/h1-2,7,14H,3H2
InChIKeyBCOSFKNPKMZTRF-UHFFFAOYSA-N
MW260.50 g/mol
LogP4.32
Rot. Bonds3

About 2,4,6-trichloro-N-(2,2-difluoroethyl)aniline

2,4,6-trichloro-N-(2,2-difluoroethyl)aniline (PubChem CID 60922157) has the molecular formula C8H6Cl3F2N and a molecular weight of 260.50 g/mol. Its IUPAC name is 2,4,6-trichloro-N-(2,2-difluoroethyl)aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-(2,2-difluoroethyl)aniline
PubChem CID60922157
Molecular FormulaC8H6Cl3F2N
Molecular Weight260.50 g/mol
Exact Mass258.95
IUPAC Name2,4,6-trichloro-N-(2,2-difluoroethyl)aniline
SMILESFC(F)CNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl3F2N/c9-4-1-5(10)8(6(11)2-4)14-3-7(12)13/h1-2,7,14H,3H2
InChIKeyBCOSFKNPKMZTRF-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6-trichloro-N-(2-fluoroethyl)aniline
CID 80694020
2,4,6-trichloro-N-(2,2-diethoxyethyl)aniline
CID 81093868
2,4,6-trichloro-N-(2-methylpentyl)aniline
CID 43126426
2-chloro-N-(2,2-difluoroethyl)-6-methylaniline
CID 66251946
3-chloro-2-N-(2,2-difluoroethyl)benzene-1,2-diamine
CID 115405373
3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trichloroanilino)methyl]propanimidamide
CID 103369603
2,4,6-trichloro-N-(2,2-dimethylpropyl)aniline
CID 63425253
2,4,6-trichloro-N-[(3,5-difluorophenyl)methyl]aniline
CID 105402948
2-acetamido-3-(2,4,6-trichloroanilino)propanoic acid
CID 64583059
3-(2-chloroanilino)-4-(2,2-difluoroethylamino)cyclobut-3-ene-1,2-dione
CID 134334099
2,4,6-tribromo-N-(2,2-difluoroethyl)aniline
CID 63489032
2-(2,4,6-trichloroanilino)acetic acid
CID 28992701

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-(2,2-difluoroethyl)aniline?
The IUPAC name of 2,4,6-trichloro-N-(2,2-difluoroethyl)aniline (CID 60922157) is 2,4,6-trichloro-N-(2,2-difluoroethyl)aniline.
What is the SMILES notation for 2,4,6-trichloro-N-(2,2-difluoroethyl)aniline?
The canonical SMILES for 2,4,6-trichloro-N-(2,2-difluoroethyl)aniline is FC(F)CNc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-N-(2,2-difluoroethyl)aniline?
The InChIKey is BCOSFKNPKMZTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl3F2N/c9-4-1-5(10)8(6(11)2-4)14-3-7(12)13/h1-2,7,14H,3H2.
What are the key properties of 2,4,6-trichloro-N-(2,2-difluoroethyl)aniline?
2,4,6-trichloro-N-(2,2-difluoroethyl)aniline has a molecular weight of 260.50 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-(2,2-difluoroethyl)aniline is sourced from PubChem (CID 60922157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).