2-fluoro-5-[1-(3-methylcyclohexyl)tetrazol-5-yl]aniline

C14H18FN5 — CID 61353432

IUPAC2-fluoro-5-[1-(3-methylcyclohexyl)tetrazol-5-yl]aniline
SMILESCC1CCCC(n2nnnc2-c2ccc(F)c(N)c2)C1
InChIInChI=1S/C14H18FN5/c1-9-3-2-4-11(7-9)20-14(17-18-19-20)10-5-6-12(15)13(16)8-10/h5-6,8-9,11H,2-4,7,16H2,1H3
InChIKeyZKLVQQBGYHJYIS-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.81
Rot. Bonds2

About 2-fluoro-5-[1-(3-methylcyclohexyl)tetrazol-5-yl]aniline

2-fluoro-5-[1-(3-methylcyclohexyl)tetrazol-5-yl]aniline (PubChem CID 61353432) has the molecular formula C14H18FN5 and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-fluoro-5-[1-(3-methylcyclohexyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-fluoro-5-[1-(3-methylcyclohexyl)tetrazol-5-yl]aniline
PubChem CID61353432
Molecular FormulaC14H18FN5
Molecular Weight275.33 g/mol
Exact Mass275.15
IUPAC Name2-fluoro-5-[1-(3-methylcyclohexyl)tetrazol-5-yl]aniline
SMILESCC1CCCC(n2nnnc2-c2ccc(F)c(N)c2)C1
InChIInChI=1S/C14H18FN5/c1-9-3-2-4-11(7-9)20-14(17-18-19-20)10-5-6-12(15)13(16)8-10/h5-6,8-9,11H,2-4,7,16H2,1H3
InChIKeyZKLVQQBGYHJYIS-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[1-(3-methylcyclohexyl)tetrazol-5-yl]aniline?
The IUPAC name of 2-fluoro-5-[1-(3-methylcyclohexyl)tetrazol-5-yl]aniline (CID 61353432) is 2-fluoro-5-[1-(3-methylcyclohexyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-fluoro-5-[1-(3-methylcyclohexyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-fluoro-5-[1-(3-methylcyclohexyl)tetrazol-5-yl]aniline is CC1CCCC(n2nnnc2-c2ccc(F)c(N)c2)C1.
What is the InChIKey of 2-fluoro-5-[1-(3-methylcyclohexyl)tetrazol-5-yl]aniline?
The InChIKey is ZKLVQQBGYHJYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5/c1-9-3-2-4-11(7-9)20-14(17-18-19-20)10-5-6-12(15)13(16)8-10/h5-6,8-9,11H,2-4,7,16H2,1H3.
What are the key properties of 2-fluoro-5-[1-(3-methylcyclohexyl)tetrazol-5-yl]aniline?
2-fluoro-5-[1-(3-methylcyclohexyl)tetrazol-5-yl]aniline has a molecular weight of 275.33 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[1-(3-methylcyclohexyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61353432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).