N-(3-bromo-2-methylphenyl)-2,2,3,3-tetrafluoropropanamide

C10H8BrF4NO — CID 103733456

IUPACN-(3-bromo-2-methylphenyl)-2,2,3,3-tetrafluoropropanamide
SMILESCc1c(Br)cccc1NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C10H8BrF4NO/c1-5-6(11)3-2-4-7(5)16-9(17)10(14,15)8(12)13/h2-4,8H,1H3,(H,16,17)
InChIKeyKYICUBGDBGGVRE-UHFFFAOYSA-N
MW314.08 g/mol
LogP3.60
Rot. Bonds3

About N-(3-bromo-2-methylphenyl)-2,2,3,3-tetrafluoropropanamide

N-(3-bromo-2-methylphenyl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103733456) has the molecular formula C10H8BrF4NO and a molecular weight of 314.08 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103733456
Molecular FormulaC10H8BrF4NO
Molecular Weight314.08 g/mol
Exact Mass312.97
IUPAC NameN-(3-bromo-2-methylphenyl)-2,2,3,3-tetrafluoropropanamide
SMILESCc1c(Br)cccc1NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C10H8BrF4NO/c1-5-6(11)3-2-4-7(5)16-9(17)10(14,15)8(12)13/h2-4,8H,1H3,(H,16,17)
InChIKeyKYICUBGDBGGVRE-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.08
LogP ≤ 53.60
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

2,2,3,3-tetrafluoro-N-(2-methyl-3-nitrophenyl)propanamide
CID 103731946
3-bromo-2-(2,2,3,3-tetrafluoropropanoylamino)benzoic acid
CID 114032490
N-(2,6-dibromo-4-methylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 114033268
N-(2-bromo-5-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 113250998
N-(3-bromo-2-methylphenyl)-2-hydroxyacetamide
CID 123237382
N-[2-(difluoromethoxy)phenyl]-2,2,3,3-tetrafluoropropanamide
CID 103732374
2,2,3,3-tetrafluoro-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 103732361
N-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 107625152
N-(3-bromo-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 113230236
2-[(3-bromo-2-methylphenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 107627310
N-(3-bromo-2-methylphenyl)-2-phenylpropanamide
CID 104917334
N-(3-bromo-2-methylphenyl)-2-fluorobenzamide
CID 66606524

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(3-bromo-2-methylphenyl)-2,2,3,3-tetrafluoropropanamide (CID 103733456) is N-(3-bromo-2-methylphenyl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-2,2,3,3-tetrafluoropropanamide is Cc1c(Br)cccc1NC(=O)C(F)(F)C(F)F.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is KYICUBGDBGGVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF4NO/c1-5-6(11)3-2-4-7(5)16-9(17)10(14,15)8(12)13/h2-4,8H,1H3,(H,16,17).
What are the key properties of N-(3-bromo-2-methylphenyl)-2,2,3,3-tetrafluoropropanamide?
N-(3-bromo-2-methylphenyl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 314.08 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylphenyl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103733456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).