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

C8H15F2N5 — CID 107065311

IUPAC1,1-difluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1nnn(C)n1)C(F)F
InChIInChI=1S/C8H15F2N5/c1-3-4-11-6(8(9)10)5-7-12-14-15(2)13-7/h6,8,11H,3-5H2,1-2H3
InChIKeyKYMSKTAXTHWARW-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.39
Rot. Bonds6

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

1,1-difluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine (PubChem CID 107065311) has the molecular formula C8H15F2N5 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1,1-difluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine
PubChem CID107065311
Molecular FormulaC8H15F2N5
Molecular Weight219.24 g/mol
Exact Mass219.13
IUPAC Name1,1-difluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1nnn(C)n1)C(F)F
InChIInChI=1S/C8H15F2N5/c1-3-4-11-6(8(9)10)5-7-12-14-15(2)13-7/h6,8,11H,3-5H2,1-2H3
InChIKeyKYMSKTAXTHWARW-UHFFFAOYSA-N
XLogP0.39
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.39
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)-N-propylpropan-2-amine?
The IUPAC name of 1,1-difluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine (CID 107065311) is 1,1-difluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1,1-difluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1,1-difluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine is CCCNC(Cc1nnn(C)n1)C(F)F.
What is the InChIKey of 1,1-difluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine?
The InChIKey is KYMSKTAXTHWARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N5/c1-3-4-11-6(8(9)10)5-7-12-14-15(2)13-7/h6,8,11H,3-5H2,1-2H3.
What are the key properties of 1,1-difluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine?
1,1-difluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine has a molecular weight of 219.24 g/mol, XLogP of 0.39, 6 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)-N-propylpropan-2-amine is sourced from PubChem (CID 107065311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).