N-(2,2-difluoroethyl)-1-(thiolan-3-yl)ethane-1,2-diamine

C8H16F2N2S — CID 107132839

IUPACN-(2,2-difluoroethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
SMILESNCC(NCC(F)F)C1CCSC1
InChIInChI=1S/C8H16F2N2S/c9-8(10)4-12-7(3-11)6-1-2-13-5-6/h6-8,12H,1-5,11H2
InChIKeyCLHDBBFNLNCBPO-UHFFFAOYSA-N
MW210.29 g/mol
LogP0.92
Rot. Bonds5

About N-(2,2-difluoroethyl)-1-(thiolan-3-yl)ethane-1,2-diamine

N-(2,2-difluoroethyl)-1-(thiolan-3-yl)ethane-1,2-diamine (PubChem CID 107132839) has the molecular formula C8H16F2N2S and a molecular weight of 210.29 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-(thiolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
PubChem CID107132839
Molecular FormulaC8H16F2N2S
Molecular Weight210.29 g/mol
Exact Mass210.10
IUPAC NameN-(2,2-difluoroethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
SMILESNCC(NCC(F)F)C1CCSC1
InChIInChI=1S/C8H16F2N2S/c9-8(10)4-12-7(3-11)6-1-2-13-5-6/h6-8,12H,1-5,11H2
InChIKeyCLHDBBFNLNCBPO-UHFFFAOYSA-N
XLogP0.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-(2,2-difluoroethyl)-1-(thiolan-3-yl)ethane-1,2-diamine (CID 107132839) is N-(2,2-difluoroethyl)-1-(thiolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2,2-difluoroethyl)-1-(thiolan-3-yl)ethane-1,2-diamine is NCC(NCC(F)F)C1CCSC1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
The InChIKey is CLHDBBFNLNCBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2S/c9-8(10)4-12-7(3-11)6-1-2-13-5-6/h6-8,12H,1-5,11H2.
What are the key properties of N-(2,2-difluoroethyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
N-(2,2-difluoroethyl)-1-(thiolan-3-yl)ethane-1,2-diamine has a molecular weight of 210.29 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-(thiolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 107132839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).