2,6-dibromo-N-(2,2-difluoroethyl)-4-methylaniline

C9H9Br2F2N — CID 60922012

IUPAC2,6-dibromo-N-(2,2-difluoroethyl)-4-methylaniline
SMILESCc1cc(Br)c(NCC(F)F)c(Br)c1
InChIInChI=1S/C9H9Br2F2N/c1-5-2-6(10)9(7(11)3-5)14-4-8(12)13/h2-3,8,14H,4H2,1H3
InChIKeyQDVTVKSUSBNTNN-UHFFFAOYSA-N
MW328.98 g/mol
LogP4.20
Rot. Bonds3

About 2,6-dibromo-N-(2,2-difluoroethyl)-4-methylaniline

2,6-dibromo-N-(2,2-difluoroethyl)-4-methylaniline (PubChem CID 60922012) has the molecular formula C9H9Br2F2N and a molecular weight of 328.98 g/mol. Its IUPAC name is 2,6-dibromo-N-(2,2-difluoroethyl)-4-methylaniline.

Molecular Properties

Compound Name2,6-dibromo-N-(2,2-difluoroethyl)-4-methylaniline
PubChem CID60922012
Molecular FormulaC9H9Br2F2N
Molecular Weight328.98 g/mol
Exact Mass326.91
IUPAC Name2,6-dibromo-N-(2,2-difluoroethyl)-4-methylaniline
SMILESCc1cc(Br)c(NCC(F)F)c(Br)c1
InChIInChI=1S/C9H9Br2F2N/c1-5-2-6(10)9(7(11)3-5)14-4-8(12)13/h2-3,8,14H,4H2,1H3
InChIKeyQDVTVKSUSBNTNN-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.98
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6-tribromo-N-(2,2-difluoroethyl)aniline
CID 63489032
3-bromo-N-(2,2-difluoroethyl)-5-methylaniline
CID 107583058
2,6-dibromo-N-(2,2-diethoxyethyl)-4-methylaniline
CID 81093242
2-(2,6-dibromo-4-methylanilino)-1-(2,6-difluorophenyl)ethanol
CID 63489722
2,6-dibromo-N-(2,2-dimethylpropyl)-4-methylaniline
CID 63421879
methyl 2-bromo-3-(2,6-dibromo-4-methylanilino)propanoate
CID 103236803
3-(2,6-dibromo-4-methylanilino)-2-phenylpropanenitrile
CID 64537621
2,6-dibromo-N-(2-methoxyethyl)-4-methylaniline
CID 28991485
2,6-dibromo-N-but-3-ynyl-4-methylaniline
CID 63655061
4-[(2,6-dibromo-4-methylanilino)methyl]-3,5-difluorobenzonitrile
CID 107037762
2,6-dibromo-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-4-methylaniline
CID 43773554
2,6-dibromo-N-[(3-bromo-4-fluorophenyl)methyl]-4-methylaniline
CID 28984078

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-(2,2-difluoroethyl)-4-methylaniline?
The IUPAC name of 2,6-dibromo-N-(2,2-difluoroethyl)-4-methylaniline (CID 60922012) is 2,6-dibromo-N-(2,2-difluoroethyl)-4-methylaniline.
What is the SMILES notation for 2,6-dibromo-N-(2,2-difluoroethyl)-4-methylaniline?
The canonical SMILES for 2,6-dibromo-N-(2,2-difluoroethyl)-4-methylaniline is Cc1cc(Br)c(NCC(F)F)c(Br)c1.
What is the InChIKey of 2,6-dibromo-N-(2,2-difluoroethyl)-4-methylaniline?
The InChIKey is QDVTVKSUSBNTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2F2N/c1-5-2-6(10)9(7(11)3-5)14-4-8(12)13/h2-3,8,14H,4H2,1H3.
What are the key properties of 2,6-dibromo-N-(2,2-difluoroethyl)-4-methylaniline?
2,6-dibromo-N-(2,2-difluoroethyl)-4-methylaniline has a molecular weight of 328.98 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-(2,2-difluoroethyl)-4-methylaniline is sourced from PubChem (CID 60922012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).