2-(5-chlorothiophen-2-yl)-2-fluoro-2-phenylethanamine

C12H11ClFNS — CID 112566303

IUPAC2-(5-chlorothiophen-2-yl)-2-fluoro-2-phenylethanamine
SMILESNCC(F)(c1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C12H11ClFNS/c13-11-7-6-10(16-11)12(14,8-15)9-4-2-1-3-5-9/h1-7H,8,15H2
InChIKeyIEBNZEVHSMJVCH-UHFFFAOYSA-N
MW255.75 g/mol
LogP3.57
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-2-fluoro-2-phenylethanamine

2-(5-chlorothiophen-2-yl)-2-fluoro-2-phenylethanamine (PubChem CID 112566303) has the molecular formula C12H11ClFNS and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-2-fluoro-2-phenylethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-2-fluoro-2-phenylethanamine
PubChem CID112566303
Molecular FormulaC12H11ClFNS
Molecular Weight255.75 g/mol
Exact Mass255.03
IUPAC Name2-(5-chlorothiophen-2-yl)-2-fluoro-2-phenylethanamine
SMILESNCC(F)(c1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C12H11ClFNS/c13-11-7-6-10(16-11)12(14,8-15)9-4-2-1-3-5-9/h1-7H,8,15H2
InChIKeyIEBNZEVHSMJVCH-UHFFFAOYSA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chlorothiophen-2-yl)-3,3-difluoro-2,2-dimethylpropan-1-amine
CID 116839634
2-(4-tert-butylphenyl)-2-fluoro-2-phenylethanamine
CID 115918107
1-(5-chlorothiophen-2-yl)-2-methoxy-1-phenylethanol
CID 103465512
2-fluoro-2-phenyl-2-(2,3,4-trifluorophenyl)ethanamine
CID 112566344
1,1-diphenylethane-1,2-diamine;platinum
CID 174501053
1,1-diphenylethane-1,2-diamine;hydrochloride
CID 139989781
2-(2,5-difluorophenyl)-2-fluoro-2-phenylethanamine
CID 112566313
2-(2,3-dimethylphenyl)-2-fluoro-2-phenylethanamine
CID 112566318
2-(4-chloro-3-methoxyphenyl)-2-fluoro-2-phenylethanamine
CID 112566367
1-(5-chlorothiophen-2-yl)-2-phenylbutan-2-amine
CID 62619974
2-(3-bromo-2,6-difluorophenyl)-2-fluoro-2-phenylethanamine
CID 106943960
2-fluoro-2-phenyl-2-(4-propoxyphenyl)ethanamine
CID 115918108

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-2-fluoro-2-phenylethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-2-fluoro-2-phenylethanamine (CID 112566303) is 2-(5-chlorothiophen-2-yl)-2-fluoro-2-phenylethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-2-fluoro-2-phenylethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-2-fluoro-2-phenylethanamine is NCC(F)(c1ccccc1)c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-2-fluoro-2-phenylethanamine?
The InChIKey is IEBNZEVHSMJVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNS/c13-11-7-6-10(16-11)12(14,8-15)9-4-2-1-3-5-9/h1-7H,8,15H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-2-fluoro-2-phenylethanamine?
2-(5-chlorothiophen-2-yl)-2-fluoro-2-phenylethanamine has a molecular weight of 255.75 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-2-fluoro-2-phenylethanamine is sourced from PubChem (CID 112566303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).