1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine

C5H9F2N5 — CID 107064732

IUPAC1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCn1nnc(CC(N)C(F)F)n1
InChIInChI=1S/C5H9F2N5/c1-12-10-4(9-11-12)2-3(8)5(6)7/h3,5H,2,8H2,1H3
InChIKeyJWUUPMCCDATWMB-UHFFFAOYSA-N
MW177.16 g/mol
LogP-0.65
Rot. Bonds3

About 1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine

1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine (PubChem CID 107064732) has the molecular formula C5H9F2N5 and a molecular weight of 177.16 g/mol. Its IUPAC name is 1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine
PubChem CID107064732
Molecular FormulaC5H9F2N5
Molecular Weight177.16 g/mol
Exact Mass177.08
IUPAC Name1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCn1nnc(CC(N)C(F)F)n1
InChIInChI=1S/C5H9F2N5/c1-12-10-4(9-11-12)2-3(8)5(6)7/h3,5H,2,8H2,1H3
InChIKeyJWUUPMCCDATWMB-UHFFFAOYSA-N
XLogP-0.65
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine?
The IUPAC name of 1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine (CID 107064732) is 1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine is Cn1nnc(CC(N)C(F)F)n1.
What is the InChIKey of 1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine?
The InChIKey is JWUUPMCCDATWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N5/c1-12-10-4(9-11-12)2-3(8)5(6)7/h3,5H,2,8H2,1H3.
What are the key properties of 1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine?
1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine has a molecular weight of 177.16 g/mol, XLogP of -0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine is sourced from PubChem (CID 107064732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).