1-(5-bromo-2-methylthiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine

C10H12BrF4NS — CID 79659826

IUPAC1-(5-bromo-2-methylthiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine
SMILESCCNC(c1cc(Br)sc1C)C(F)(F)C(F)F
InChIInChI=1S/C10H12BrF4NS/c1-3-16-8(10(14,15)9(12)13)6-4-7(11)17-5(6)2/h4,8-9,16H,3H2,1-2H3
InChIKeyFYVAYUWOXFUFNS-UHFFFAOYSA-N
MW334.18 g/mol
LogP4.37
Rot. Bonds5

About 1-(5-bromo-2-methylthiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine

1-(5-bromo-2-methylthiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 79659826) has the molecular formula C10H12BrF4NS and a molecular weight of 334.18 g/mol. Its IUPAC name is 1-(5-bromo-2-methylthiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methylthiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID79659826
Molecular FormulaC10H12BrF4NS
Molecular Weight334.18 g/mol
Exact Mass332.98
IUPAC Name1-(5-bromo-2-methylthiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine
SMILESCCNC(c1cc(Br)sc1C)C(F)(F)C(F)F
InChIInChI=1S/C10H12BrF4NS/c1-3-16-8(10(14,15)9(12)13)6-4-7(11)17-5(6)2/h4,8-9,16H,3H2,1-2H3
InChIKeyFYVAYUWOXFUFNS-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.18
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(5-bromo-2-methylthiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine with MolForge

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Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine
CID 79991335
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine
CID 79660890
N-ethyl-2,2,3,3-tetrafluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 79660521
N-[(5-bromo-2-methylthiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107961101
1-(4-bromo-2,5-difluorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79660900
1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79644821
N-[(2-bromo-3-methylphenyl)-(5-bromo-2-methylthiophen-3-yl)methyl]ethanamine
CID 107982055
N-[(5-bromo-2-methylthiophen-3-yl)-(4-methylsulfanylphenyl)methyl]ethanamine
CID 79214557
N-[(5-bromo-2-methylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 66475549
1-(5-bromo-2-methylthiophen-3-yl)-2-propylpentan-1-amine
CID 82984366
1-(3-bromo-4-propoxyphenyl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine
CID 104658048
1-(5-bromo-2-methylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207672

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylthiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of 1-(5-bromo-2-methylthiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine (CID 79659826) is 1-(5-bromo-2-methylthiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-methylthiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for 1-(5-bromo-2-methylthiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine is CCNC(c1cc(Br)sc1C)C(F)(F)C(F)F.
What is the InChIKey of 1-(5-bromo-2-methylthiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is FYVAYUWOXFUFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF4NS/c1-3-16-8(10(14,15)9(12)13)6-4-7(11)17-5(6)2/h4,8-9,16H,3H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methylthiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine?
1-(5-bromo-2-methylthiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 334.18 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylthiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 79659826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).