N-(2,6-dibromo-4-methylphenyl)-2,2,3,3-tetrafluoropropanamide

C10H7Br2F4NO — CID 114033268

IUPACN-(2,6-dibromo-4-methylphenyl)-2,2,3,3-tetrafluoropropanamide
SMILESCc1cc(Br)c(NC(=O)C(F)(F)C(F)F)c(Br)c1
InChIInChI=1S/C10H7Br2F4NO/c1-4-2-5(11)7(6(12)3-4)17-9(18)10(15,16)8(13)14/h2-3,8H,1H3,(H,17,18)
InChIKeyNGJCBLLTGFIWFN-UHFFFAOYSA-N
MW392.97 g/mol
LogP4.36
Rot. Bonds3

About N-(2,6-dibromo-4-methylphenyl)-2,2,3,3-tetrafluoropropanamide

N-(2,6-dibromo-4-methylphenyl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 114033268) has the molecular formula C10H7Br2F4NO and a molecular weight of 392.97 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)-2,2,3,3-tetrafluoropropanamide
PubChem CID114033268
Molecular FormulaC10H7Br2F4NO
Molecular Weight392.97 g/mol
Exact Mass390.88
IUPAC NameN-(2,6-dibromo-4-methylphenyl)-2,2,3,3-tetrafluoropropanamide
SMILESCc1cc(Br)c(NC(=O)C(F)(F)C(F)F)c(Br)c1
InChIInChI=1S/C10H7Br2F4NO/c1-4-2-5(11)7(6(12)3-4)17-9(18)10(15,16)8(13)14/h2-3,8H,1H3,(H,17,18)
InChIKeyNGJCBLLTGFIWFN-UHFFFAOYSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.97
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dibromo-4-methylphenyl)-2,2-dimethylpropanamide
CID 60629516
N-(2-chloro-4,6-dimethylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 113251859
N-(3-bromo-2-methylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103733456
3-bromo-2-(2,2,3,3-tetrafluoropropanoylamino)benzoic acid
CID 114032490
methyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 116654064
N-(2-bromo-5-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 113250998
3-bromo-N-(2,6-dibromo-4-methylphenyl)propanamide
CID 115571577
1-tert-butyl-3-(2,6-dibromo-4-methylphenyl)urea
CID 113218257
N-(2-chloro-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103769557
N-(2-amino-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 114032448
2-amino-N-(2,6-dibromo-4-methylphenyl)-3,3-dimethylbutanamide
CID 76892746
2-bromo-5-(2,2,3,3-tetrafluoropropanoylamino)benzoic acid
CID 114032535

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2,2,3,3-tetrafluoropropanamide (CID 114033268) is N-(2,6-dibromo-4-methylphenyl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)-2,2,3,3-tetrafluoropropanamide is Cc1cc(Br)c(NC(=O)C(F)(F)C(F)F)c(Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is NGJCBLLTGFIWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2F4NO/c1-4-2-5(11)7(6(12)3-4)17-9(18)10(15,16)8(13)14/h2-3,8H,1H3,(H,17,18).
What are the key properties of N-(2,6-dibromo-4-methylphenyl)-2,2,3,3-tetrafluoropropanamide?
N-(2,6-dibromo-4-methylphenyl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 392.97 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 114033268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).