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

C8H6BrF4NOS — CID 103732642

IUPACN-[(5-bromothiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropanamide
SMILESO=C(NCc1ccc(Br)s1)C(F)(F)C(F)F
InChIInChI=1S/C8H6BrF4NOS/c9-5-2-1-4(16-5)3-14-7(15)8(12,13)6(10)11/h1-2,6H,3H2,(H,14,15)
InChIKeyWGMHNLUYVILCGH-UHFFFAOYSA-N
MW320.11 g/mol
LogP3.03
Rot. Bonds4

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

N-[(5-bromothiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropanamide (PubChem CID 103732642) has the molecular formula C8H6BrF4NOS and a molecular weight of 320.11 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropanamide
PubChem CID103732642
Molecular FormulaC8H6BrF4NOS
Molecular Weight320.11 g/mol
Exact Mass318.93
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropanamide
SMILESO=C(NCc1ccc(Br)s1)C(F)(F)C(F)F
InChIInChI=1S/C8H6BrF4NOS/c9-5-2-1-4(16-5)3-14-7(15)8(12,13)6(10)11/h1-2,6H,3H2,(H,14,15)
InChIKeyWGMHNLUYVILCGH-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.11
LogP ≤ 53.03
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

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
3,3,3-trifluoro-N-(thiophen-2-ylmethyl)propanamide
CID 45808089
2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
CID 3327556
3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 58458778
N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 59781614
5-bromo-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 60630264
2,2,2-trifluoro-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 62727313
4-Bromo-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 139023326
N-[(5-bromo-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide
CID 168950860
N-allyl-5-bromothiophene-2-carboxamide
CID 4295906
N-[(4-bromothiophen-2-yl)methyl]acetamide
CID 24974631

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropanamide (CID 103732642) is N-[(5-bromothiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropanamide is O=C(NCc1ccc(Br)s1)C(F)(F)C(F)F.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropanamide?
The InChIKey is WGMHNLUYVILCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF4NOS/c9-5-2-1-4(16-5)3-14-7(15)8(12,13)6(10)11/h1-2,6H,3H2,(H,14,15).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropanamide?
N-[(5-bromothiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropanamide has a molecular weight of 320.11 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103732642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).