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

C6H11F2N5 — CID 107064822

IUPAC1,1-difluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCNC(Cc1nnn(C)n1)C(F)F
InChIInChI=1S/C6H11F2N5/c1-9-4(6(7)8)3-5-10-12-13(2)11-5/h4,6,9H,3H2,1-2H3
InChIKeyHBGZWPSFJHJFSJ-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.39
Rot. Bonds4

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

1,1-difluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine (PubChem CID 107064822) has the molecular formula C6H11F2N5 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1,1-difluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine
PubChem CID107064822
Molecular FormulaC6H11F2N5
Molecular Weight191.19 g/mol
Exact Mass191.10
IUPAC Name1,1-difluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCNC(Cc1nnn(C)n1)C(F)F
InChIInChI=1S/C6H11F2N5/c1-9-4(6(7)8)3-5-10-12-13(2)11-5/h4,6,9H,3H2,1-2H3
InChIKeyHBGZWPSFJHJFSJ-UHFFFAOYSA-N
XLogP-0.39
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3,3-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine
CID 107042396
4,4,4-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042609
4,4,4-Trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine
CID 107048750
4,4,4-trifluoro-N-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine
CID 107048752
N-ethyl-4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine
CID 107048754
5,5,5-Trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine
CID 107050234
5,5,5-trifluoro-N-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine
CID 107050237
N-ethyl-5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine
CID 107050239
5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)-N-propylpentan-2-amine
CID 107050240
2-methyl-3-(2-methyltetrazol-5-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 107053612
1,1,1-Trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107064716
1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine
CID 107064717

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The IUPAC name of 1,1-difluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine (CID 107064822) is 1,1-difluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine is CNC(Cc1nnn(C)n1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The InChIKey is HBGZWPSFJHJFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N5/c1-9-4(6(7)8)3-5-10-12-13(2)11-5/h4,6,9H,3H2,1-2H3.
What are the key properties of 1,1-difluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
1,1-difluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine has a molecular weight of 191.19 g/mol, XLogP of -0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine is sourced from PubChem (CID 107064822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).