N-[[1-(2,4-difluorophenyl)tetrazol-5-yl]methyl]cyclopropanamine

C11H11F2N5 — CID 62737963

IUPACN-[[1-(2,4-difluorophenyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESFc1ccc(-n2nnnc2CNC2CC2)c(F)c1
InChIInChI=1S/C11H11F2N5/c12-7-1-4-10(9(13)5-7)18-11(15-16-17-18)6-14-8-2-3-8/h1,4-5,8,14H,2-3,6H2
InChIKeyIUZRVQWXKLQCNT-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.19
Rot. Bonds4

About N-[[1-(2,4-difluorophenyl)tetrazol-5-yl]methyl]cyclopropanamine

N-[[1-(2,4-difluorophenyl)tetrazol-5-yl]methyl]cyclopropanamine (PubChem CID 62737963) has the molecular formula C11H11F2N5 and a molecular weight of 251.24 g/mol. Its IUPAC name is N-[[1-(2,4-difluorophenyl)tetrazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2,4-difluorophenyl)tetrazol-5-yl]methyl]cyclopropanamine
PubChem CID62737963
Molecular FormulaC11H11F2N5
Molecular Weight251.24 g/mol
Exact Mass251.10
IUPAC NameN-[[1-(2,4-difluorophenyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESFc1ccc(-n2nnnc2CNC2CC2)c(F)c1
InChIInChI=1S/C11H11F2N5/c12-7-1-4-10(9(13)5-7)18-11(15-16-17-18)6-14-8-2-3-8/h1,4-5,8,14H,2-3,6H2
InChIKeyIUZRVQWXKLQCNT-UHFFFAOYSA-N
XLogP1.19
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-difluorophenyl)tetrazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2,4-difluorophenyl)tetrazol-5-yl]methyl]cyclopropanamine (CID 62737963) is N-[[1-(2,4-difluorophenyl)tetrazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2,4-difluorophenyl)tetrazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2,4-difluorophenyl)tetrazol-5-yl]methyl]cyclopropanamine is Fc1ccc(-n2nnnc2CNC2CC2)c(F)c1.
What is the InChIKey of N-[[1-(2,4-difluorophenyl)tetrazol-5-yl]methyl]cyclopropanamine?
The InChIKey is IUZRVQWXKLQCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N5/c12-7-1-4-10(9(13)5-7)18-11(15-16-17-18)6-14-8-2-3-8/h1,4-5,8,14H,2-3,6H2.
What are the key properties of N-[[1-(2,4-difluorophenyl)tetrazol-5-yl]methyl]cyclopropanamine?
N-[[1-(2,4-difluorophenyl)tetrazol-5-yl]methyl]cyclopropanamine has a molecular weight of 251.24 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-difluorophenyl)tetrazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62737963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).