1-[5-(4-chloro-2-fluorophenyl)thiophen-2-yl]ethanamine

C12H11ClFNS — CID 43154378

IUPAC1-[5-(4-chloro-2-fluorophenyl)thiophen-2-yl]ethanamine
SMILESCC(N)c1ccc(-c2ccc(Cl)cc2F)s1
InChIInChI=1S/C12H11ClFNS/c1-7(15)11-4-5-12(16-11)9-3-2-8(13)6-10(9)14/h2-7H,15H2,1H3
InChIKeyBKMOYMNHKKYVAU-UHFFFAOYSA-N
MW255.75 g/mol
LogP4.23
Rot. Bonds2

About 1-[5-(4-chloro-2-fluorophenyl)thiophen-2-yl]ethanamine

1-[5-(4-chloro-2-fluorophenyl)thiophen-2-yl]ethanamine (PubChem CID 43154378) has the molecular formula C12H11ClFNS and a molecular weight of 255.75 g/mol. Its IUPAC name is 1-[5-(4-chloro-2-fluorophenyl)thiophen-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(4-chloro-2-fluorophenyl)thiophen-2-yl]ethanamine
PubChem CID43154378
Molecular FormulaC12H11ClFNS
Molecular Weight255.75 g/mol
Exact Mass255.03
IUPAC Name1-[5-(4-chloro-2-fluorophenyl)thiophen-2-yl]ethanamine
SMILESCC(N)c1ccc(-c2ccc(Cl)cc2F)s1
InChIInChI=1S/C12H11ClFNS/c1-7(15)11-4-5-12(16-11)9-3-2-8(13)6-10(9)14/h2-7H,15H2,1H3
InChIKeyBKMOYMNHKKYVAU-UHFFFAOYSA-N
XLogP4.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(3-chloro-2-fluorophenyl)thiophen-2-yl]ethanamine
CID 43154483
1-[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]propan-1-amine
CID 43154452
1-[5-(2,5-dibromophenyl)thiophen-2-yl]ethanamine
CID 61470004
[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 43363459
1-[5-(2,5-dichlorophenyl)thiophen-2-yl]propan-1-amine
CID 43363440
1-[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]butan-1-amine
CID 43363461
1-[5-(3-fluorophenyl)thiophen-2-yl]ethanamine
CID 43154255
N-[[4-(5-chlorothiophen-2-yl)-3-fluorophenyl]methyl]propan-2-amine
CID 81446769
N-methyl-1-[5-(2,4,5-trifluorophenyl)thiophen-2-yl]ethanamine
CID 62810581
1-(6-chloro-1-benzothiophen-2-yl)ethanamine
CID 18965426
1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine
CID 43154322
N-[1-[5-(2,4-dichlorophenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 43288307

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-2-fluorophenyl)thiophen-2-yl]ethanamine?
The IUPAC name of 1-[5-(4-chloro-2-fluorophenyl)thiophen-2-yl]ethanamine (CID 43154378) is 1-[5-(4-chloro-2-fluorophenyl)thiophen-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(4-chloro-2-fluorophenyl)thiophen-2-yl]ethanamine?
The canonical SMILES for 1-[5-(4-chloro-2-fluorophenyl)thiophen-2-yl]ethanamine is CC(N)c1ccc(-c2ccc(Cl)cc2F)s1.
What is the InChIKey of 1-[5-(4-chloro-2-fluorophenyl)thiophen-2-yl]ethanamine?
The InChIKey is BKMOYMNHKKYVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNS/c1-7(15)11-4-5-12(16-11)9-3-2-8(13)6-10(9)14/h2-7H,15H2,1H3.
What are the key properties of 1-[5-(4-chloro-2-fluorophenyl)thiophen-2-yl]ethanamine?
1-[5-(4-chloro-2-fluorophenyl)thiophen-2-yl]ethanamine has a molecular weight of 255.75 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-2-fluorophenyl)thiophen-2-yl]ethanamine is sourced from PubChem (CID 43154378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).