(1S)-1-(3-bromothiophen-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine

C7H5BrF5NS — CID 131352754

IUPAC(1S)-1-(3-bromothiophen-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine
SMILESN[C@H](c1sccc1Br)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5BrF5NS/c8-3-1-2-15-4(3)5(14)6(9,10)7(11,12)13/h1-2,5H,14H2/t5-/m1/s1
InChIKeyOTRDUGOGEYRTHA-RXMQYKEDSA-N
MW310.09 g/mol
LogP3.71
Rot. Bonds2

About (1S)-1-(3-bromothiophen-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine

(1S)-1-(3-bromothiophen-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine (PubChem CID 131352754) has the molecular formula C7H5BrF5NS and a molecular weight of 310.09 g/mol. Its IUPAC name is (1S)-1-(3-bromothiophen-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(3-bromothiophen-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine
PubChem CID131352754
Molecular FormulaC7H5BrF5NS
Molecular Weight310.09 g/mol
Exact Mass308.92
IUPAC Name(1S)-1-(3-bromothiophen-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine
SMILESN[C@H](c1sccc1Br)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5BrF5NS/c8-3-1-2-15-4(3)5(14)6(9,10)7(11,12)13/h1-2,5H,14H2/t5-/m1/s1
InChIKeyOTRDUGOGEYRTHA-RXMQYKEDSA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.09
LogP ≤ 53.71
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

1-(3-bromothiophen-2-yl)-2-ethyl-2-methoxybutan-1-amine
CID 116760534
[1-(3-bromothiophen-2-yl)-2,2,2-trifluoroethyl]hydrazine
CID 105215838
(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine
CID 131098099
1-(3-bromothiophen-2-yl)-2-ethoxy-2-methylpropan-1-amine
CID 116726184
(R)-(3-bromothiophen-2-yl)-thiophen-2-ylmethanamine;hydrochloride
CID 171211028
[1-(3-bromothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine
CID 105206154
3-bromo-2-(1-bromo-4,4,4-trifluorobutyl)thiophene
CID 80536907
1-(3-bromothiophen-2-yl)-2,2,2-trifluoro-N-methylethanamine
CID 79016591
3-bromo-2-(1-chloro-2,2,3,3-tetrafluoropropyl)thiophene
CID 80537320
(1R)-1-(3-bromothiophen-2-yl)prop-2-en-1-amine;hydrochloride
CID 171211010
1-(3-bromothiophen-2-yl)-2-(2,2-difluorocyclopropyl)ethanamine
CID 164660128
(3-bromothiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 113298197

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-bromothiophen-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine?
The IUPAC name of (1S)-1-(3-bromothiophen-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine (CID 131352754) is (1S)-1-(3-bromothiophen-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine.
What is the SMILES notation for (1S)-1-(3-bromothiophen-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine?
The canonical SMILES for (1S)-1-(3-bromothiophen-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine is N[C@H](c1sccc1Br)C(F)(F)C(F)(F)F.
What is the InChIKey of (1S)-1-(3-bromothiophen-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine?
The InChIKey is OTRDUGOGEYRTHA-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H5BrF5NS/c8-3-1-2-15-4(3)5(14)6(9,10)7(11,12)13/h1-2,5H,14H2/t5-/m1/s1.
What are the key properties of (1S)-1-(3-bromothiophen-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine?
(1S)-1-(3-bromothiophen-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine has a molecular weight of 310.09 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-bromothiophen-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine is sourced from PubChem (CID 131352754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).