N-[2-(4-bromophenyl)propan-2-yl]-2,2,3,3-tetrafluoropropanamide

C12H12BrF4NO — CID 103732827

IUPACN-[2-(4-bromophenyl)propan-2-yl]-2,2,3,3-tetrafluoropropanamide
SMILESCC(C)(NC(=O)C(F)(F)C(F)F)c1ccc(Br)cc1
InChIInChI=1S/C12H12BrF4NO/c1-11(2,7-3-5-8(13)6-4-7)18-10(19)12(16,17)9(14)15/h3-6,9H,1-2H3,(H,18,19)
InChIKeyPYTPCRDBQOLAOT-UHFFFAOYSA-N
MW342.13 g/mol
LogP3.70
Rot. Bonds4

About N-[2-(4-bromophenyl)propan-2-yl]-2,2,3,3-tetrafluoropropanamide

N-[2-(4-bromophenyl)propan-2-yl]-2,2,3,3-tetrafluoropropanamide (PubChem CID 103732827) has the molecular formula C12H12BrF4NO and a molecular weight of 342.13 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)propan-2-yl]-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)propan-2-yl]-2,2,3,3-tetrafluoropropanamide
PubChem CID103732827
Molecular FormulaC12H12BrF4NO
Molecular Weight342.13 g/mol
Exact Mass341.00
IUPAC NameN-[2-(4-bromophenyl)propan-2-yl]-2,2,3,3-tetrafluoropropanamide
SMILESCC(C)(NC(=O)C(F)(F)C(F)F)c1ccc(Br)cc1
InChIInChI=1S/C12H12BrF4NO/c1-11(2,7-3-5-8(13)6-4-7)18-10(19)12(16,17)9(14)15/h3-6,9H,1-2H3,(H,18,19)
InChIKeyPYTPCRDBQOLAOT-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.13
LogP ≤ 53.70
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-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 64593022
N-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide
CID 103515044
(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3,3-dimethylbutanamide
CID 103928581
2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide
CID 43697992
N-[2-(4-bromophenyl)propan-2-yl]but-2-enamide
CID 112727841
4-bromo-N-(2-phenylpropan-2-yl)benzamide
CID 47444769
3-amino-N-[2-(4-bromophenyl)propan-2-yl]butanamide
CID 54923979
4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
CID 63524757
3-amino-4-[2-(4-bromophenyl)propan-2-ylamino]-4-oxobutanoic acid
CID 64896073
4-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide
CID 81076217
(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]pentanamide
CID 113264007
[(2R)-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]carbamic acid
CID 161189926

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-2,2,3,3-tetrafluoropropanamide (CID 103732827) is N-[2-(4-bromophenyl)propan-2-yl]-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-[2-(4-bromophenyl)propan-2-yl]-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-[2-(4-bromophenyl)propan-2-yl]-2,2,3,3-tetrafluoropropanamide is CC(C)(NC(=O)C(F)(F)C(F)F)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)propan-2-yl]-2,2,3,3-tetrafluoropropanamide?
The InChIKey is PYTPCRDBQOLAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF4NO/c1-11(2,7-3-5-8(13)6-4-7)18-10(19)12(16,17)9(14)15/h3-6,9H,1-2H3,(H,18,19).
What are the key properties of N-[2-(4-bromophenyl)propan-2-yl]-2,2,3,3-tetrafluoropropanamide?
N-[2-(4-bromophenyl)propan-2-yl]-2,2,3,3-tetrafluoropropanamide has a molecular weight of 342.13 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)propan-2-yl]-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103732827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).