N-[3-fluoro-3-(tetrazol-2-yl)propyl]aniline

C10H12FN5 — CID 54092324

IUPACN-[3-fluoro-3-(tetrazol-2-yl)propyl]aniline
SMILESFC(CCNc1ccccc1)n1ncnn1
InChIInChI=1S/C10H12FN5/c11-10(16-14-8-13-15-16)6-7-12-9-4-2-1-3-5-9/h1-5,8,10,12H,6-7H2
InChIKeyMUSODFPVZCCDKP-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.64
Rot. Bonds5

About N-[3-fluoro-3-(tetrazol-2-yl)propyl]aniline

N-[3-fluoro-3-(tetrazol-2-yl)propyl]aniline (PubChem CID 54092324) has the molecular formula C10H12FN5 and a molecular weight of 221.24 g/mol. Its IUPAC name is N-[3-fluoro-3-(tetrazol-2-yl)propyl]aniline.

Molecular Properties

Compound NameN-[3-fluoro-3-(tetrazol-2-yl)propyl]aniline
PubChem CID54092324
Molecular FormulaC10H12FN5
Molecular Weight221.24 g/mol
Exact Mass221.11
IUPAC NameN-[3-fluoro-3-(tetrazol-2-yl)propyl]aniline
SMILESFC(CCNc1ccccc1)n1ncnn1
InChIInChI=1S/C10H12FN5/c11-10(16-14-8-13-15-16)6-7-12-9-4-2-1-3-5-9/h1-5,8,10,12H,6-7H2
InChIKeyMUSODFPVZCCDKP-UHFFFAOYSA-N
XLogP1.64
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-3-(tetrazol-2-yl)propyl]aniline?
The IUPAC name of N-[3-fluoro-3-(tetrazol-2-yl)propyl]aniline (CID 54092324) is N-[3-fluoro-3-(tetrazol-2-yl)propyl]aniline.
What is the SMILES notation for N-[3-fluoro-3-(tetrazol-2-yl)propyl]aniline?
The canonical SMILES for N-[3-fluoro-3-(tetrazol-2-yl)propyl]aniline is FC(CCNc1ccccc1)n1ncnn1.
What is the InChIKey of N-[3-fluoro-3-(tetrazol-2-yl)propyl]aniline?
The InChIKey is MUSODFPVZCCDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5/c11-10(16-14-8-13-15-16)6-7-12-9-4-2-1-3-5-9/h1-5,8,10,12H,6-7H2.
What are the key properties of N-[3-fluoro-3-(tetrazol-2-yl)propyl]aniline?
N-[3-fluoro-3-(tetrazol-2-yl)propyl]aniline has a molecular weight of 221.24 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-3-(tetrazol-2-yl)propyl]aniline is sourced from PubChem (CID 54092324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).