1-(3-bromothiophen-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine

C10H12BrF4NS — CID 80535785

IUPAC1-(3-bromothiophen-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
SMILESCCCNC(c1sccc1Br)C(F)(F)C(F)F
InChIInChI=1S/C10H12BrF4NS/c1-2-4-16-8(10(14,15)9(12)13)7-6(11)3-5-17-7/h3,5,8-9,16H,2,4H2,1H3
InChIKeyZYLYBBFAVGOEMY-UHFFFAOYSA-N
MW334.18 g/mol
LogP4.45
Rot. Bonds6

About 1-(3-bromothiophen-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine

1-(3-bromothiophen-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine (PubChem CID 80535785) has the molecular formula C10H12BrF4NS and a molecular weight of 334.18 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
PubChem CID80535785
Molecular FormulaC10H12BrF4NS
Molecular Weight334.18 g/mol
Exact Mass332.98
IUPAC Name1-(3-bromothiophen-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
SMILESCCCNC(c1sccc1Br)C(F)(F)C(F)F
InChIInChI=1S/C10H12BrF4NS/c1-2-4-16-8(10(14,15)9(12)13)7-6(11)3-5-17-7/h3,5,8-9,16H,2,4H2,1H3
InChIKeyZYLYBBFAVGOEMY-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.18
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-bromothiophen-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromothiophen-2-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 80536067
1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105023982
1-(4-bromo-2,5-difluorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79660900
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
1-(3-bromothiophen-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103028723
1-(4-chlorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79660522
1-(4-tert-butylphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79644553
1-(3-bromothiophen-2-yl)-N-propylbut-3-yn-1-amine
CID 114977322
1-(3-bromothiophen-2-yl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039383
N-[(3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methyl]propan-1-amine
CID 106647972
1-(1-benzothiophen-3-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79660798

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine (CID 80535785) is 1-(3-bromothiophen-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine is CCCNC(c1sccc1Br)C(F)(F)C(F)F.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine?
The InChIKey is ZYLYBBFAVGOEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF4NS/c1-2-4-16-8(10(14,15)9(12)13)7-6(11)3-5-17-7/h3,5,8-9,16H,2,4H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine?
1-(3-bromothiophen-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine has a molecular weight of 334.18 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine is sourced from PubChem (CID 80535785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).