4-fluoro-N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine

C11H12FN5 — CID 83065500

IUPAC4-fluoro-N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESFc1cccc2c1CCC2NCc1nn[nH]n1
InChIInChI=1S/C11H12FN5/c12-9-3-1-2-8-7(9)4-5-10(8)13-6-11-14-16-17-15-11/h1-3,10,13H,4-6H2,(H,14,15,16,17)
InChIKeyJZVOYLWIKQWPAC-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.12
Rot. Bonds3

About 4-fluoro-N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine

4-fluoro-N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 83065500) has the molecular formula C11H12FN5 and a molecular weight of 233.25 g/mol. Its IUPAC name is 4-fluoro-N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-fluoro-N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID83065500
Molecular FormulaC11H12FN5
Molecular Weight233.25 g/mol
Exact Mass233.11
IUPAC Name4-fluoro-N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESFc1cccc2c1CCC2NCc1nn[nH]n1
InChIInChI=1S/C11H12FN5/c12-9-3-1-2-8-7(9)4-5-10(8)13-6-11-14-16-17-15-11/h1-3,10,13H,4-6H2,(H,14,15,16,17)
InChIKeyJZVOYLWIKQWPAC-UHFFFAOYSA-N
XLogP1.12
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 83065642
N-[(2-chlorophenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 78978173
4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383392
[3-[[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol
CID 103781789
4-fluoro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78978052
4-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78989792
(1S)-N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 95588885
4-fluoro-N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78978105
4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 102904112
4-fluoro-N-(2-phenylethyl)-2,3-dihydro-1H-inden-1-amine
CID 79483582
N'-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 81302237
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 106368996

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-fluoro-N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine (CID 83065500) is 4-fluoro-N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-fluoro-N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-fluoro-N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine is Fc1cccc2c1CCC2NCc1nn[nH]n1.
What is the InChIKey of 4-fluoro-N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is JZVOYLWIKQWPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5/c12-9-3-1-2-8-7(9)4-5-10(8)13-6-11-14-16-17-15-11/h1-3,10,13H,4-6H2,(H,14,15,16,17).
What are the key properties of 4-fluoro-N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
4-fluoro-N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 233.25 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 83065500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).