2-(5-bromothiophen-2-yl)-3-fluoropropan-1-amine

C7H9BrFNS — CID 83824574

IUPAC2-(5-bromothiophen-2-yl)-3-fluoropropan-1-amine
SMILESNCC(CF)c1ccc(Br)s1
InChIInChI=1S/C7H9BrFNS/c8-7-2-1-6(11-7)5(3-9)4-10/h1-2,5H,3-4,10H2
InChIKeyCAWVKRKZJIUTQI-UHFFFAOYSA-N
MW238.12 g/mol
LogP2.52
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-3-fluoropropan-1-amine

2-(5-bromothiophen-2-yl)-3-fluoropropan-1-amine (PubChem CID 83824574) has the molecular formula C7H9BrFNS and a molecular weight of 238.12 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-3-fluoropropan-1-amine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-3-fluoropropan-1-amine
PubChem CID83824574
Molecular FormulaC7H9BrFNS
Molecular Weight238.12 g/mol
Exact Mass236.96
IUPAC Name2-(5-bromothiophen-2-yl)-3-fluoropropan-1-amine
SMILESNCC(CF)c1ccc(Br)s1
InChIInChI=1S/C7H9BrFNS/c8-7-2-1-6(11-7)5(3-9)4-10/h1-2,5H,3-4,10H2
InChIKeyCAWVKRKZJIUTQI-UHFFFAOYSA-N
XLogP2.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromothiophen-2-yl)-3-methoxypropan-1-amine
CID 117240735
1-(5-bromothiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116945742
tert-butyl 4-amino-3-(5-bromothiophen-2-yl)butanoate
CID 165488630
1-(5-bromothiophen-2-yl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913500
4-[2-amino-1-(5-bromothiophen-2-yl)ethyl]phenol
CID 83987266
(1S)-1-(5-bromothiophen-2-yl)butane-1,4-diamine;hydrochloride
CID 171222508
2-bromo-5-hex-5-yn-3-ylthiophene
CID 83935010
4-amino-3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)butanamide
CID 166329289
1-(5-bromothiophen-2-yl)butane-1,3-diamine
CID 116933230
[(1S)-1-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 93426787
2-bromo-5-(1-bromo-2,2,2-trifluoroethyl)thiophene
CID 61098417
1-(5-bromothiophen-2-yl)-N-(3-chlorophenyl)ethane-1,2-diamine
CID 65385499

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-3-fluoropropan-1-amine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-3-fluoropropan-1-amine (CID 83824574) is 2-(5-bromothiophen-2-yl)-3-fluoropropan-1-amine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-3-fluoropropan-1-amine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-3-fluoropropan-1-amine is NCC(CF)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-3-fluoropropan-1-amine?
The InChIKey is CAWVKRKZJIUTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrFNS/c8-7-2-1-6(11-7)5(3-9)4-10/h1-2,5H,3-4,10H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-3-fluoropropan-1-amine?
2-(5-bromothiophen-2-yl)-3-fluoropropan-1-amine has a molecular weight of 238.12 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-3-fluoropropan-1-amine is sourced from PubChem (CID 83824574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).