1-[2-(2,2-difluorocyclopropyl)oxyethyl]-N-ethyl-N-(furan-3-ylmethyl)tetrazol-5-amine

C13H17F2N5O2 — CID 166258172

IUPAC1-[2-(2,2-difluorocyclopropyl)oxyethyl]-N-ethyl-N-(furan-3-ylmethyl)tetrazol-5-amine
SMILESCCN(Cc1ccoc1)c1nnnn1CCOC1CC1(F)F
InChIInChI=1S/C13H17F2N5O2/c1-2-19(8-10-3-5-21-9-10)12-16-17-18-20(12)4-6-22-11-7-13(11,14)15/h3,5,9,11H,2,4,6-8H2,1H3
InChIKeyPFFNLIYBKPZKMR-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.72
Rot. Bonds8

About 1-[2-(2,2-difluorocyclopropyl)oxyethyl]-N-ethyl-N-(furan-3-ylmethyl)tetrazol-5-amine

1-[2-(2,2-difluorocyclopropyl)oxyethyl]-N-ethyl-N-(furan-3-ylmethyl)tetrazol-5-amine (PubChem CID 166258172) has the molecular formula C13H17F2N5O2 and a molecular weight of 313.31 g/mol. Its IUPAC name is 1-[2-(2,2-difluorocyclopropyl)oxyethyl]-N-ethyl-N-(furan-3-ylmethyl)tetrazol-5-amine.

Molecular Properties

Compound Name1-[2-(2,2-difluorocyclopropyl)oxyethyl]-N-ethyl-N-(furan-3-ylmethyl)tetrazol-5-amine
PubChem CID166258172
Molecular FormulaC13H17F2N5O2
Molecular Weight313.31 g/mol
Exact Mass313.14
IUPAC Name1-[2-(2,2-difluorocyclopropyl)oxyethyl]-N-ethyl-N-(furan-3-ylmethyl)tetrazol-5-amine
SMILESCCN(Cc1ccoc1)c1nnnn1CCOC1CC1(F)F
InChIInChI=1S/C13H17F2N5O2/c1-2-19(8-10-3-5-21-9-10)12-16-17-18-20(12)4-6-22-11-7-13(11,14)15/h3,5,9,11H,2,4,6-8H2,1H3
InChIKeyPFFNLIYBKPZKMR-UHFFFAOYSA-N
XLogP1.72
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-difluorocyclopropyl)oxyethyl]-N-ethyl-N-(furan-3-ylmethyl)tetrazol-5-amine?
The IUPAC name of 1-[2-(2,2-difluorocyclopropyl)oxyethyl]-N-ethyl-N-(furan-3-ylmethyl)tetrazol-5-amine (CID 166258172) is 1-[2-(2,2-difluorocyclopropyl)oxyethyl]-N-ethyl-N-(furan-3-ylmethyl)tetrazol-5-amine.
What is the SMILES notation for 1-[2-(2,2-difluorocyclopropyl)oxyethyl]-N-ethyl-N-(furan-3-ylmethyl)tetrazol-5-amine?
The canonical SMILES for 1-[2-(2,2-difluorocyclopropyl)oxyethyl]-N-ethyl-N-(furan-3-ylmethyl)tetrazol-5-amine is CCN(Cc1ccoc1)c1nnnn1CCOC1CC1(F)F.
What is the InChIKey of 1-[2-(2,2-difluorocyclopropyl)oxyethyl]-N-ethyl-N-(furan-3-ylmethyl)tetrazol-5-amine?
The InChIKey is PFFNLIYBKPZKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N5O2/c1-2-19(8-10-3-5-21-9-10)12-16-17-18-20(12)4-6-22-11-7-13(11,14)15/h3,5,9,11H,2,4,6-8H2,1H3.
What are the key properties of 1-[2-(2,2-difluorocyclopropyl)oxyethyl]-N-ethyl-N-(furan-3-ylmethyl)tetrazol-5-amine?
1-[2-(2,2-difluorocyclopropyl)oxyethyl]-N-ethyl-N-(furan-3-ylmethyl)tetrazol-5-amine has a molecular weight of 313.31 g/mol, XLogP of 1.72, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-difluorocyclopropyl)oxyethyl]-N-ethyl-N-(furan-3-ylmethyl)tetrazol-5-amine is sourced from PubChem (CID 166258172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).