N-[2-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropanamide

C9H8BrF4NOS — CID 103732331

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropanamide
SMILESO=C(NCCc1ccc(Br)s1)C(F)(F)C(F)F
InChIInChI=1S/C9H8BrF4NOS/c10-6-2-1-5(17-6)3-4-15-8(16)9(13,14)7(11)12/h1-2,7H,3-4H2,(H,15,16)
InChIKeyNYGAIQUSHKBZET-UHFFFAOYSA-N
MW334.13 g/mol
LogP3.07
Rot. Bonds5

About N-[2-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropanamide

N-[2-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropanamide (PubChem CID 103732331) has the molecular formula C9H8BrF4NOS and a molecular weight of 334.13 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropanamide
PubChem CID103732331
Molecular FormulaC9H8BrF4NOS
Molecular Weight334.13 g/mol
Exact Mass332.94
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropanamide
SMILESO=C(NCCc1ccc(Br)s1)C(F)(F)C(F)F
InChIInChI=1S/C9H8BrF4NOS/c10-6-2-1-5(17-6)3-4-15-8(16)9(13,14)7(11)12/h1-2,7H,3-4H2,(H,15,16)
InChIKeyNYGAIQUSHKBZET-UHFFFAOYSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.13
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[2-(thiophen-2-yl)ethyl]acetamide
CID 57130484
N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide hydrochloride
CID 91663076
N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide
CID 28710264
2-thiophen-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 45794094
N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 59781614
1,1,1,4,4,4-hexafluorobutane-2,3-dione;2-methyl-N-(2-thiophen-2-ylethyl)propanamide
CID 157616792
1,1,1,4,4,4-hexafluorobutane-2,3-dione;N-(2-thiophen-2-ylethyl)acetamide
CID 161279554
N-[(5-bromo-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide
CID 168950860
N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 18207605
N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-2-(3,4-difluorophenyl)sulfanylacetamide
CID 18227928
N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 32774703
N-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 33170874

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropanamide (CID 103732331) is N-[2-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropanamide is O=C(NCCc1ccc(Br)s1)C(F)(F)C(F)F.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropanamide?
The InChIKey is NYGAIQUSHKBZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF4NOS/c10-6-2-1-5(17-6)3-4-15-8(16)9(13,14)7(11)12/h1-2,7H,3-4H2,(H,15,16).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropanamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropanamide has a molecular weight of 334.13 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103732331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).