N'-(3,4-difluorophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

C13H14F2N2S — CID 28772162

IUPACN'-(3,4-difluorophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESNCCN(Cc1cccs1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H14F2N2S/c14-12-4-3-10(8-13(12)15)17(6-5-16)9-11-2-1-7-18-11/h1-4,7-8H,5-6,9,16H2
InChIKeyUEPSUSBLMGOXES-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.99
Rot. Bonds5

About N'-(3,4-difluorophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

N'-(3,4-difluorophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 28772162) has the molecular formula C13H14F2N2S and a molecular weight of 268.33 g/mol. Its IUPAC name is N'-(3,4-difluorophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,4-difluorophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID28772162
Molecular FormulaC13H14F2N2S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC NameN'-(3,4-difluorophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESNCCN(Cc1cccs1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H14F2N2S/c14-12-4-3-10(8-13(12)15)17(6-5-16)9-11-2-1-7-18-11/h1-4,7-8H,5-6,9,16H2
InChIKeyUEPSUSBLMGOXES-UHFFFAOYSA-N
XLogP2.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(3,4-difluorophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(3,4-difluorophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 28772162) is N'-(3,4-difluorophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3,4-difluorophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3,4-difluorophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is NCCN(Cc1cccs1)c1ccc(F)c(F)c1.
What is the InChIKey of N'-(3,4-difluorophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is UEPSUSBLMGOXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2S/c14-12-4-3-10(8-13(12)15)17(6-5-16)9-11-2-1-7-18-11/h1-4,7-8H,5-6,9,16H2.
What are the key properties of N'-(3,4-difluorophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N'-(3,4-difluorophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 268.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-difluorophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 28772162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).