N-(2,2-difluoroethyl)-1-methyltetrazol-5-amine

C4H7F2N5 — CID 79099576

IUPACN-(2,2-difluoroethyl)-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCC(F)F
InChIInChI=1S/C4H7F2N5/c1-11-4(8-9-10-11)7-2-3(5)6/h3H,2H2,1H3,(H,7,8,10)
InChIKeyASRZCQWAFWVSDX-UHFFFAOYSA-N
MW163.13 g/mol
LogP-0.11
Rot. Bonds3

About N-(2,2-difluoroethyl)-1-methyltetrazol-5-amine

N-(2,2-difluoroethyl)-1-methyltetrazol-5-amine (PubChem CID 79099576) has the molecular formula C4H7F2N5 and a molecular weight of 163.13 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-methyltetrazol-5-amine
PubChem CID79099576
Molecular FormulaC4H7F2N5
Molecular Weight163.13 g/mol
Exact Mass163.07
IUPAC NameN-(2,2-difluoroethyl)-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCC(F)F
InChIInChI=1S/C4H7F2N5/c1-11-4(8-9-10-11)7-2-3(5)6/h3H,2H2,1H3,(H,7,8,10)
InChIKeyASRZCQWAFWVSDX-UHFFFAOYSA-N
XLogP-0.11
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-methyltetrazol-5-amine?
The IUPAC name of N-(2,2-difluoroethyl)-1-methyltetrazol-5-amine (CID 79099576) is N-(2,2-difluoroethyl)-1-methyltetrazol-5-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-methyltetrazol-5-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-1-methyltetrazol-5-amine is Cn1nnnc1NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-1-methyltetrazol-5-amine?
The InChIKey is ASRZCQWAFWVSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2N5/c1-11-4(8-9-10-11)7-2-3(5)6/h3H,2H2,1H3,(H,7,8,10).
What are the key properties of N-(2,2-difluoroethyl)-1-methyltetrazol-5-amine?
N-(2,2-difluoroethyl)-1-methyltetrazol-5-amine has a molecular weight of 163.13 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-methyltetrazol-5-amine is sourced from PubChem (CID 79099576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).