1-(5-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-amine

C13H13ClFNS — CID 103048590

IUPAC1-(5-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-amine
SMILESNC(Cc1cccs1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C13H13ClFNS/c14-10-3-4-13(15)9(6-10)7-11(16)8-12-2-1-5-17-12/h1-6,11H,7-8,16H2
InChIKeyREOSRHXWHNMHNA-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.65
Rot. Bonds4

About 1-(5-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-amine

1-(5-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-amine (PubChem CID 103048590) has the molecular formula C13H13ClFNS and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-amine
PubChem CID103048590
Molecular FormulaC13H13ClFNS
Molecular Weight269.77 g/mol
Exact Mass269.04
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-amine
SMILESNC(Cc1cccs1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C13H13ClFNS/c14-10-3-4-13(15)9(6-10)7-11(16)8-12-2-1-5-17-12/h1-6,11H,7-8,16H2
InChIKeyREOSRHXWHNMHNA-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

(4-Fluorophenyl)(thiophen-2-yl)methanamine
CID 4962648
(4-Chlorophenyl)(thiophen-2-yl)methanamine
CID 22506646
2-(3-Chlorophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3061996
2-Thenylamine, alpha-(m-chlorobenzyl)-N-isopropyl-, hydrochloride
CID 3061998
2-(4-Chlorophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3062000
2-(2,6-Dichlorophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3062007
2-(3-Fluorophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3062014
2-Thenylamine, alpha-(p-fluorobenzyl)-, hydrochloride
CID 3062018
(4-Chlorophenyl)(thiophen-2-yl)methanamine hydrochloride
CID 42950978
[3-Chloro-4-(thiophen-2-yl)phenyl]methanamine
CID 108393143
2-(5-Chloro-1-benzothiophen-3-yl)ethan-1-amine
CID 1781993
(4-Chlorophenyl)(thiophen-3-yl)methanamine hydrochloride
CID 45792317

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-amine (CID 103048590) is 1-(5-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-amine is NC(Cc1cccs1)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-amine?
The InChIKey is REOSRHXWHNMHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNS/c14-10-3-4-13(15)9(6-10)7-11(16)8-12-2-1-5-17-12/h1-6,11H,7-8,16H2.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-amine?
1-(5-chloro-2-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-(5-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 103048590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).