N'-(2,2-difluoroethyl)-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine

C7H14F2N6 — CID 107494380

IUPACN'-(2,2-difluoroethyl)-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine
SMILESCn1nnc(CN(CCN)CC(F)F)n1
InChIInChI=1S/C7H14F2N6/c1-14-12-7(11-13-14)5-15(3-2-10)4-6(8)9/h6H,2-5,10H2,1H3
InChIKeyYSDPSDJSDGKHHI-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.76
Rot. Bonds6

About N'-(2,2-difluoroethyl)-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine

N'-(2,2-difluoroethyl)-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine (PubChem CID 107494380) has the molecular formula C7H14F2N6 and a molecular weight of 220.23 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine
PubChem CID107494380
Molecular FormulaC7H14F2N6
Molecular Weight220.23 g/mol
Exact Mass220.12
IUPAC NameN'-(2,2-difluoroethyl)-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine
SMILESCn1nnc(CN(CCN)CC(F)F)n1
InChIInChI=1S/C7H14F2N6/c1-14-12-7(11-13-14)5-15(3-2-10)4-6(8)9/h6H,2-5,10H2,1H3
InChIKeyYSDPSDJSDGKHHI-UHFFFAOYSA-N
XLogP-0.76
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-(2,2-difluoroethyl)-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine (CID 107494380) is N'-(2,2-difluoroethyl)-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-difluoroethyl)-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2,2-difluoroethyl)-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine is Cn1nnc(CN(CCN)CC(F)F)n1.
What is the InChIKey of N'-(2,2-difluoroethyl)-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is YSDPSDJSDGKHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N6/c1-14-12-7(11-13-14)5-15(3-2-10)4-6(8)9/h6H,2-5,10H2,1H3.
What are the key properties of N'-(2,2-difluoroethyl)-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine?
N'-(2,2-difluoroethyl)-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 220.23 g/mol, XLogP of -0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 107494380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).