1-(4-chloro-2-fluorophenyl)-2-thiophen-3-ylethanamine

C12H11ClFNS — CID 61078640

IUPAC1-(4-chloro-2-fluorophenyl)-2-thiophen-3-ylethanamine
SMILESNC(Cc1ccsc1)c1ccc(Cl)cc1F
InChIInChI=1S/C12H11ClFNS/c13-9-1-2-10(11(14)6-9)12(15)5-8-3-4-16-7-8/h1-4,6-7,12H,5,15H2
InChIKeyPXNVUEWKLRSAAQ-UHFFFAOYSA-N
MW255.75 g/mol
LogP3.78
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)-2-thiophen-3-ylethanamine

1-(4-chloro-2-fluorophenyl)-2-thiophen-3-ylethanamine (PubChem CID 61078640) has the molecular formula C12H11ClFNS and a molecular weight of 255.75 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-2-thiophen-3-ylethanamine
PubChem CID61078640
Molecular FormulaC12H11ClFNS
Molecular Weight255.75 g/mol
Exact Mass255.03
IUPAC Name1-(4-chloro-2-fluorophenyl)-2-thiophen-3-ylethanamine
SMILESNC(Cc1ccsc1)c1ccc(Cl)cc1F
InChIInChI=1S/C12H11ClFNS/c13-9-1-2-10(11(14)6-9)12(15)5-8-3-4-16-7-8/h1-4,6-7,12H,5,15H2
InChIKeyPXNVUEWKLRSAAQ-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methylphenyl)-2-thiophen-3-ylethanamine
CID 82883386
1-(4-chloro-2-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 55188144
(1R)-1-(4-chloro-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171222464
(1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine
CID 58878078
1-(2,5-dibromothiophen-3-yl)-2-thiophen-3-ylethanamine
CID 107962803
1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropan-1-amine
CID 115857028
1-(5-chloro-2-fluorophenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 61078384
[1-(2,4-difluorophenyl)-2-thiophen-3-ylethyl]hydrazine
CID 105216666
(1S)-1-(4-chloro-2-fluorophenyl)pentane-1,5-diamine
CID 171222468
(1R)-1-(4-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103694258
1-(2-bromo-5-chlorophenyl)-3-thiophen-3-ylpropan-1-amine
CID 114027060
1-(2,4-difluorophenyl)-3-thiophen-3-ylpropan-2-amine
CID 64559079

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-thiophen-3-ylethanamine (CID 61078640) is 1-(4-chloro-2-fluorophenyl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-2-thiophen-3-ylethanamine is NC(Cc1ccsc1)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-2-thiophen-3-ylethanamine?
The InChIKey is PXNVUEWKLRSAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNS/c13-9-1-2-10(11(14)6-9)12(15)5-8-3-4-16-7-8/h1-4,6-7,12H,5,15H2.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-2-thiophen-3-ylethanamine?
1-(4-chloro-2-fluorophenyl)-2-thiophen-3-ylethanamine has a molecular weight of 255.75 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 61078640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).