2-chloro-N-(dithiophen-2-ylmethyl)-4-fluoroaniline

C15H11ClFNS2 — CID 43774020

IUPAC2-chloro-N-(dithiophen-2-ylmethyl)-4-fluoroaniline
SMILESFc1ccc(NC(c2cccs2)c2cccs2)c(Cl)c1
InChIInChI=1S/C15H11ClFNS2/c16-11-9-10(17)5-6-12(11)18-15(13-3-1-7-19-13)14-4-2-8-20-14/h1-9,15,18H
InChIKeyXIHVWOLBKVNNFV-UHFFFAOYSA-N
MW323.85 g/mol
LogP5.80
Rot. Bonds4

About 2-chloro-N-(dithiophen-2-ylmethyl)-4-fluoroaniline

2-chloro-N-(dithiophen-2-ylmethyl)-4-fluoroaniline (PubChem CID 43774020) has the molecular formula C15H11ClFNS2 and a molecular weight of 323.85 g/mol. Its IUPAC name is 2-chloro-N-(dithiophen-2-ylmethyl)-4-fluoroaniline.

Molecular Properties

Compound Name2-chloro-N-(dithiophen-2-ylmethyl)-4-fluoroaniline
PubChem CID43774020
Molecular FormulaC15H11ClFNS2
Molecular Weight323.85 g/mol
Exact Mass323.00
IUPAC Name2-chloro-N-(dithiophen-2-ylmethyl)-4-fluoroaniline
SMILESFc1ccc(NC(c2cccs2)c2cccs2)c(Cl)c1
InChIInChI=1S/C15H11ClFNS2/c16-11-9-10(17)5-6-12(11)18-15(13-3-1-7-19-13)14-4-2-8-20-14/h1-9,15,18H
InChIKeyXIHVWOLBKVNNFV-UHFFFAOYSA-N
XLogP5.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.85
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(dithiophen-2-ylmethyl)-4-iodoaniline
CID 43788805
2,5-dichloro-N-(dithiophen-2-ylmethyl)aniline
CID 43757202
2,4,6-trichloro-N-(dithiophen-2-ylmethyl)aniline
CID 43773694
4-bromo-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-fluoroaniline
CID 43759777
4-chloro-N-(dithiophen-2-ylmethyl)pyridin-3-amine
CID 83167393
1-(4-fluorophenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43393729
4-bromo-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-methylaniline
CID 43758835
N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 60696935
2-chloro-4-fluoro-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 129354884
4-chloro-2-(dithiophen-2-ylmethylamino)benzonitrile
CID 43780568
2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43088282
2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43774044

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(dithiophen-2-ylmethyl)-4-fluoroaniline?
The IUPAC name of 2-chloro-N-(dithiophen-2-ylmethyl)-4-fluoroaniline (CID 43774020) is 2-chloro-N-(dithiophen-2-ylmethyl)-4-fluoroaniline.
What is the SMILES notation for 2-chloro-N-(dithiophen-2-ylmethyl)-4-fluoroaniline?
The canonical SMILES for 2-chloro-N-(dithiophen-2-ylmethyl)-4-fluoroaniline is Fc1ccc(NC(c2cccs2)c2cccs2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(dithiophen-2-ylmethyl)-4-fluoroaniline?
The InChIKey is XIHVWOLBKVNNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNS2/c16-11-9-10(17)5-6-12(11)18-15(13-3-1-7-19-13)14-4-2-8-20-14/h1-9,15,18H.
What are the key properties of 2-chloro-N-(dithiophen-2-ylmethyl)-4-fluoroaniline?
2-chloro-N-(dithiophen-2-ylmethyl)-4-fluoroaniline has a molecular weight of 323.85 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(dithiophen-2-ylmethyl)-4-fluoroaniline is sourced from PubChem (CID 43774020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).