2,4-difluoro-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]aniline

C14H17F2N5 — CID 61377002

IUPAC2,4-difluoro-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]aniline
SMILESCC1CCC(n2nnnc2-c2cc(N)c(F)cc2F)CC1
InChIInChI=1S/C14H17F2N5/c1-8-2-4-9(5-3-8)21-14(18-19-20-21)10-6-13(17)12(16)7-11(10)15/h6-9H,2-5,17H2,1H3
InChIKeyFBVBBNJYHNTUJD-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.95
Rot. Bonds2

About 2,4-difluoro-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]aniline

2,4-difluoro-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]aniline (PubChem CID 61377002) has the molecular formula C14H17F2N5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2,4-difluoro-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2,4-difluoro-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]aniline
PubChem CID61377002
Molecular FormulaC14H17F2N5
Molecular Weight293.32 g/mol
Exact Mass293.15
IUPAC Name2,4-difluoro-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]aniline
SMILESCC1CCC(n2nnnc2-c2cc(N)c(F)cc2F)CC1
InChIInChI=1S/C14H17F2N5/c1-8-2-4-9(5-3-8)21-14(18-19-20-21)10-6-13(17)12(16)7-11(10)15/h6-9H,2-5,17H2,1H3
InChIKeyFBVBBNJYHNTUJD-UHFFFAOYSA-N
XLogP2.95
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.95
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

2,4-difluoro-5-[1-(oxan-4-yl)tetrazol-5-yl]aniline
CID 61377030
4,5-difluoro-2-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline
CID 114550868
2-bromo-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]aniline
CID 61376603
4-(1-cyclobutyltetrazol-5-yl)-3-fluoroaniline
CID 62414238
3-(1-cyclooctyltetrazol-5-yl)-4-fluoroaniline
CID 61353453
2-fluoro-5-[1-(3-methylcyclohexyl)tetrazol-5-yl]aniline
CID 61353432
4-(1-cycloheptyltetrazol-5-yl)-2-fluoroaniline
CID 62680823
2-(1-cyclopropyltetrazol-5-yl)-4-methoxyaniline
CID 61376569
2-(1-cyclobutyltetrazol-5-yl)-4-methylaniline
CID 65454710
2,4-difluoro-5-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 81252023
4-methoxy-3-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline
CID 114550866
4-chloro-2-[1-(3,5-dimethylcyclohexyl)tetrazol-5-yl]aniline
CID 64733879

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]aniline?
The IUPAC name of 2,4-difluoro-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]aniline (CID 61377002) is 2,4-difluoro-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2,4-difluoro-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2,4-difluoro-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]aniline is CC1CCC(n2nnnc2-c2cc(N)c(F)cc2F)CC1.
What is the InChIKey of 2,4-difluoro-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]aniline?
The InChIKey is FBVBBNJYHNTUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N5/c1-8-2-4-9(5-3-8)21-14(18-19-20-21)10-6-13(17)12(16)7-11(10)15/h6-9H,2-5,17H2,1H3.
What are the key properties of 2,4-difluoro-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]aniline?
2,4-difluoro-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]aniline has a molecular weight of 293.32 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61377002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).