4-fluoro-3-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline

C14H18FN5 — CID 79362712

IUPAC4-fluoro-3-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline
SMILESCC1(C)C(n2nnnc2-c2cc(N)ccc2F)C1(C)C
InChIInChI=1S/C14H18FN5/c1-13(2)12(14(13,3)4)20-11(17-18-19-20)9-7-8(16)5-6-10(9)15/h5-7,12H,16H2,1-4H3
InChIKeyVUHMSYLBQNMVHS-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.67
Rot. Bonds2

About 4-fluoro-3-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline

4-fluoro-3-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline (PubChem CID 79362712) has the molecular formula C14H18FN5 and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-fluoro-3-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-fluoro-3-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline
PubChem CID79362712
Molecular FormulaC14H18FN5
Molecular Weight275.33 g/mol
Exact Mass275.15
IUPAC Name4-fluoro-3-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline
SMILESCC1(C)C(n2nnnc2-c2cc(N)ccc2F)C1(C)C
InChIInChI=1S/C14H18FN5/c1-13(2)12(14(13,3)4)20-11(17-18-19-20)9-7-8(16)5-6-10(9)15/h5-7,12H,16H2,1-4H3
InChIKeyVUHMSYLBQNMVHS-UHFFFAOYSA-N
XLogP2.67
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(1-cyclooctyltetrazol-5-yl)-4-fluoroaniline
CID 61353453
4-fluoro-3-[1-(oxolan-3-yl)tetrazol-5-yl]aniline
CID 80716220
2,4-dimethyl-5-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline
CID 102706381
3-[1-(3-ethyl-2-methylcyclopentyl)tetrazol-5-yl]-4-fluoroaniline
CID 64914664
3-[1-(3-ethylcyclohexyl)tetrazol-5-yl]-4-fluoroaniline
CID 64743598
3-[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]-4-fluoroaniline
CID 61353877
4-fluoro-3-[1-(2-methylpropyl)tetrazol-5-yl]aniline
CID 61377924
3-(1-butyltetrazol-5-yl)-4-fluoroaniline
CID 61351874
3-[1-(2,5-difluorophenyl)tetrazol-5-yl]-4-fluoroaniline
CID 61353651
4-fluoro-3-[1-[1-(trifluoromethyl)cyclopropyl]tetrazol-5-yl]aniline
CID 106216486
4-fluoro-3-[1-(2-methylbutyl)tetrazol-5-yl]aniline
CID 55108716
4-(1-cyclobutyltetrazol-5-yl)-3-fluoroaniline
CID 62414238

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline?
The IUPAC name of 4-fluoro-3-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline (CID 79362712) is 4-fluoro-3-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 4-fluoro-3-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline?
The canonical SMILES for 4-fluoro-3-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline is CC1(C)C(n2nnnc2-c2cc(N)ccc2F)C1(C)C.
What is the InChIKey of 4-fluoro-3-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline?
The InChIKey is VUHMSYLBQNMVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5/c1-13(2)12(14(13,3)4)20-11(17-18-19-20)9-7-8(16)5-6-10(9)15/h5-7,12H,16H2,1-4H3.
What are the key properties of 4-fluoro-3-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline?
4-fluoro-3-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline has a molecular weight of 275.33 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 79362712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).