4-(bromomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide

C11H10BrF4NO — CID 106290959

IUPAC4-(bromomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESO=C(NCC(F)(F)C(F)F)c1ccc(CBr)cc1
InChIInChI=1S/C11H10BrF4NO/c12-5-7-1-3-8(4-2-7)9(18)17-6-11(15,16)10(13)14/h1-4,10H,5-6H2,(H,17,18)
InChIKeyFDZUVGIFBDMLNZ-UHFFFAOYSA-N
MW328.10 g/mol
LogP3.21
Rot. Bonds5

About 4-(bromomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide

4-(bromomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide (PubChem CID 106290959) has the molecular formula C11H10BrF4NO and a molecular weight of 328.10 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide
PubChem CID106290959
Molecular FormulaC11H10BrF4NO
Molecular Weight328.10 g/mol
Exact Mass326.99
IUPAC Name4-(bromomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESO=C(NCC(F)(F)C(F)F)c1ccc(CBr)cc1
InChIInChI=1S/C11H10BrF4NO/c12-5-7-1-3-8(4-2-7)9(18)17-6-11(15,16)10(13)14/h1-4,10H,5-6H2,(H,17,18)
InChIKeyFDZUVGIFBDMLNZ-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.10
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295342
4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 11131484
N-(2,2,3,3-tetrafluoropropyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 106293073
4-(bromomethyl)-N-(2-hydroxyethyl)benzamide
CID 82110896
4-(bromomethyl)-N-[(2R)-2-hydroxypropyl]benzamide
CID 15608280
2-[4-(bromomethyl)phenyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 139330806
2-fluoro-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride
CID 106295727
2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride
CID 106295733
4-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103577982
3-amino-4-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295547
4-(bromomethyl)-N-(2-bromoprop-2-enyl)benzamide
CID 102852072
2-fluoro-N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)benzamide
CID 103528324

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The IUPAC name of 4-(bromomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide (CID 106290959) is 4-(bromomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The canonical SMILES for 4-(bromomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide is O=C(NCC(F)(F)C(F)F)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The InChIKey is FDZUVGIFBDMLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF4NO/c12-5-7-1-3-8(4-2-7)9(18)17-6-11(15,16)10(13)14/h1-4,10H,5-6H2,(H,17,18).
What are the key properties of 4-(bromomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide?
4-(bromomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide has a molecular weight of 328.10 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide is sourced from PubChem (CID 106290959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).