N-(1,1-difluoropropan-2-yl)-2-(tetrazol-1-yl)aniline

C10H11F2N5 — CID 102868555

IUPACN-(1,1-difluoropropan-2-yl)-2-(tetrazol-1-yl)aniline
SMILESCC(Nc1ccccc1-n1cnnn1)C(F)F
InChIInChI=1S/C10H11F2N5/c1-7(10(11)12)14-8-4-2-3-5-9(8)17-6-13-15-16-17/h2-7,10,14H,1H3
InChIKeyGMHIOYHGKYNNKR-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.73
Rot. Bonds4

About N-(1,1-difluoropropan-2-yl)-2-(tetrazol-1-yl)aniline

N-(1,1-difluoropropan-2-yl)-2-(tetrazol-1-yl)aniline (PubChem CID 102868555) has the molecular formula C10H11F2N5 and a molecular weight of 239.23 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-2-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-2-(tetrazol-1-yl)aniline
PubChem CID102868555
Molecular FormulaC10H11F2N5
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC NameN-(1,1-difluoropropan-2-yl)-2-(tetrazol-1-yl)aniline
SMILESCC(Nc1ccccc1-n1cnnn1)C(F)F
InChIInChI=1S/C10H11F2N5/c1-7(10(11)12)14-8-4-2-3-5-9(8)17-6-13-15-16-17/h2-7,10,14H,1H3
InChIKeyGMHIOYHGKYNNKR-UHFFFAOYSA-N
XLogP1.73
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyclopentylethyl)-2-(tetrazol-1-yl)aniline
CID 55096519
N-[1-(2-chlorophenyl)ethyl]-2-(tetrazol-1-yl)aniline
CID 43702199
N-[1-(4-chlorophenyl)ethyl]-2-(tetrazol-1-yl)aniline
CID 43702187
N-(3-methylbutyl)-2-(tetrazol-1-yl)aniline
CID 43702180
2-(tetrazol-1-yl)-N-(1-thiophen-3-ylethyl)aniline
CID 62091747
N-[1-(3-methylthiophen-2-yl)ethyl]-2-(tetrazol-1-yl)aniline
CID 63992655
N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(tetrazol-1-yl)aniline
CID 43702094
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-(tetrazol-1-yl)aniline
CID 61333962
(2R)-2-amino-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 54995832
2-chloro-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 43698693
5-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 82011021
3-chloro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 55110809

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-2-(tetrazol-1-yl)aniline?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-2-(tetrazol-1-yl)aniline (CID 102868555) is N-(1,1-difluoropropan-2-yl)-2-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-2-(tetrazol-1-yl)aniline?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-2-(tetrazol-1-yl)aniline is CC(Nc1ccccc1-n1cnnn1)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-2-(tetrazol-1-yl)aniline?
The InChIKey is GMHIOYHGKYNNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N5/c1-7(10(11)12)14-8-4-2-3-5-9(8)17-6-13-15-16-17/h2-7,10,14H,1H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)-2-(tetrazol-1-yl)aniline?
N-(1,1-difluoropropan-2-yl)-2-(tetrazol-1-yl)aniline has a molecular weight of 239.23 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)-2-(tetrazol-1-yl)aniline is sourced from PubChem (CID 102868555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).