5-chloro-2-[2-(3,3-difluorocyclopentyl)-1-hydrazinylethyl]aniline

C13H18ClF2N3 — CID 114225964

IUPAC5-chloro-2-[2-(3,3-difluorocyclopentyl)-1-hydrazinylethyl]aniline
SMILESNNC(CC1CCC(F)(F)C1)c1ccc(Cl)cc1N
InChIInChI=1S/C13H18ClF2N3/c14-9-1-2-10(11(17)6-9)12(19-18)5-8-3-4-13(15,16)7-8/h1-2,6,8,12,19H,3-5,7,17-18H2
InChIKeyPIOVTXBQYKSNAC-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.25
Rot. Bonds4

About 5-chloro-2-[2-(3,3-difluorocyclopentyl)-1-hydrazinylethyl]aniline

5-chloro-2-[2-(3,3-difluorocyclopentyl)-1-hydrazinylethyl]aniline (PubChem CID 114225964) has the molecular formula C13H18ClF2N3 and a molecular weight of 289.76 g/mol. Its IUPAC name is 5-chloro-2-[2-(3,3-difluorocyclopentyl)-1-hydrazinylethyl]aniline.

Molecular Properties

Compound Name5-chloro-2-[2-(3,3-difluorocyclopentyl)-1-hydrazinylethyl]aniline
PubChem CID114225964
Molecular FormulaC13H18ClF2N3
Molecular Weight289.76 g/mol
Exact Mass289.12
IUPAC Name5-chloro-2-[2-(3,3-difluorocyclopentyl)-1-hydrazinylethyl]aniline
SMILESNNC(CC1CCC(F)(F)C1)c1ccc(Cl)cc1N
InChIInChI=1S/C13H18ClF2N3/c14-9-1-2-10(11(17)6-9)12(19-18)5-8-3-4-13(15,16)7-8/h1-2,6,8,12,19H,3-5,7,17-18H2
InChIKeyPIOVTXBQYKSNAC-UHFFFAOYSA-N
XLogP3.25
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[2-(3,3-difluorocyclohexyl)-1-hydrazinylethyl]aniline
CID 114225965
[1-(2,5-dibromophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine
CID 114226017
[1-(3-bromo-4-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine
CID 114225992
[2-(3,3-difluorocyclopentyl)-1-(3,4-dimethylphenyl)ethyl]hydrazine
CID 114226042
[2-cyclopentyl-1-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105299043
[2-cyclobutyl-1-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105309988
[1-(5-chloro-2-fluorophenyl)-2-cyclopentylethyl]hydrazine
CID 105280031
5-chloro-2-(1-hydrazinyl-4-methylpentyl)aniline
CID 105224018
[1-(2-bromo-4-chlorophenyl)-2-cyclobutylethyl]hydrazine
CID 107997064
5-chloro-2-[2-(2,5-dichlorophenyl)-1-hydrazinylethyl]aniline
CID 105224259
[2-(3,3-difluorocyclohexyl)-1-(2,5-dimethylfuran-3-yl)ethyl]hydrazine
CID 114226056
1-(2-chlorofuran-3-yl)-2-(3,3-difluorocyclopentyl)-N-ethylethanamine
CID 114225707

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(3,3-difluorocyclopentyl)-1-hydrazinylethyl]aniline?
The IUPAC name of 5-chloro-2-[2-(3,3-difluorocyclopentyl)-1-hydrazinylethyl]aniline (CID 114225964) is 5-chloro-2-[2-(3,3-difluorocyclopentyl)-1-hydrazinylethyl]aniline.
What is the SMILES notation for 5-chloro-2-[2-(3,3-difluorocyclopentyl)-1-hydrazinylethyl]aniline?
The canonical SMILES for 5-chloro-2-[2-(3,3-difluorocyclopentyl)-1-hydrazinylethyl]aniline is NNC(CC1CCC(F)(F)C1)c1ccc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-[2-(3,3-difluorocyclopentyl)-1-hydrazinylethyl]aniline?
The InChIKey is PIOVTXBQYKSNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF2N3/c14-9-1-2-10(11(17)6-9)12(19-18)5-8-3-4-13(15,16)7-8/h1-2,6,8,12,19H,3-5,7,17-18H2.
What are the key properties of 5-chloro-2-[2-(3,3-difluorocyclopentyl)-1-hydrazinylethyl]aniline?
5-chloro-2-[2-(3,3-difluorocyclopentyl)-1-hydrazinylethyl]aniline has a molecular weight of 289.76 g/mol, XLogP of 3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(3,3-difluorocyclopentyl)-1-hydrazinylethyl]aniline is sourced from PubChem (CID 114225964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).