1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-2-amine

C13H13ClFNS — CID 107884640

IUPAC1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-2-amine
SMILESNC(Cc1ccc(Cl)c(F)c1)Cc1cccs1
InChIInChI=1S/C13H13ClFNS/c14-12-4-3-9(7-13(12)15)6-10(16)8-11-2-1-5-17-11/h1-5,7,10H,6,8,16H2
InChIKeyXLNRCJAXMCQERV-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.65
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-2-amine

1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-2-amine (PubChem CID 107884640) has the molecular formula C13H13ClFNS and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-2-amine
PubChem CID107884640
Molecular FormulaC13H13ClFNS
Molecular Weight269.77 g/mol
Exact Mass269.04
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-2-amine
SMILESNC(Cc1ccc(Cl)c(F)c1)Cc1cccs1
InChIInChI=1S/C13H13ClFNS/c14-12-4-3-9(7-13(12)15)6-10(16)8-11-2-1-5-17-11/h1-5,7,10H,6,8,16H2
InChIKeyXLNRCJAXMCQERV-UHFFFAOYSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-2-amine
CID 62603614
1-(4-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine
CID 107884616
1-(4-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 107894455
[1-(3-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-2-yl]hydrazine
CID 103043829
1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
CID 107993297
1-(4-chloro-3-fluorophenyl)-3-methoxypropan-2-amine
CID 107884589
1-(4-chloro-3-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-amine
CID 107884862
1-(4-chlorophenyl)-4-thiophen-2-ylbutan-2-amine
CID 63774417
1-(4-chloro-3-fluorophenyl)-3-methylbutan-2-amine
CID 115347398
2-(4-chloro-3-fluorophenyl)-1-pyridin-4-ylethanamine
CID 114012684
1-(4-chloro-3-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
CID 107892082
1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-amine
CID 107884756

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-2-amine (CID 107884640) is 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-2-amine is NC(Cc1ccc(Cl)c(F)c1)Cc1cccs1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-2-amine?
The InChIKey is XLNRCJAXMCQERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNS/c14-12-4-3-9(7-13(12)15)6-10(16)8-11-2-1-5-17-11/h1-5,7,10H,6,8,16H2.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-2-amine?
1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-2-amine has a molecular weight of 269.77 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 107884640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).