[1-(2-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine

C13H18ClFN2 — CID 103170767

IUPAC[1-(2-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
SMILESNNC(Cc1cccc(F)c1Cl)CC1CCC1
InChIInChI=1S/C13H18ClFN2/c14-13-10(5-2-6-12(13)15)8-11(17-16)7-9-3-1-4-9/h2,5-6,9,11,17H,1,3-4,7-8,16H2
InChIKeyQTPPUKCQFIOVRY-UHFFFAOYSA-N
MW256.75 g/mol
LogP3.04
Rot. Bonds5

About [1-(2-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine

[1-(2-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine (PubChem CID 103170767) has the molecular formula C13H18ClFN2 and a molecular weight of 256.75 g/mol. Its IUPAC name is [1-(2-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
PubChem CID103170767
Molecular FormulaC13H18ClFN2
Molecular Weight256.75 g/mol
Exact Mass256.11
IUPAC Name[1-(2-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
SMILESNNC(Cc1cccc(F)c1Cl)CC1CCC1
InChIInChI=1S/C13H18ClFN2/c14-13-10(5-2-6-12(13)15)8-11(17-16)7-9-3-1-4-9/h2,5-6,9,11,17H,1,3-4,7-8,16H2
InChIKeyQTPPUKCQFIOVRY-UHFFFAOYSA-N
XLogP3.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-cyclohexyl-3-(2,3-difluorophenyl)propan-2-yl]hydrazine
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[1-cyclopropyl-3-(2,6-difluorophenyl)propan-2-yl]hydrazine
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1-(2-chloro-3-fluorophenyl)-3-cycloheptylpropan-2-ol
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[1-(2-chloro-3-fluorophenyl)-4-methylpentan-2-yl]hydrazine
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[1-(2-fluorophenyl)-3-(oxan-4-yl)propan-2-yl]hydrazine
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[1-(2-chloro-3-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine
CID 105215908
2-(2-chloro-3-fluorophenyl)-1-cyclobutyl-N-methylethanamine
CID 112653742
[1-cyclobutyl-3-(2,4-difluorophenyl)propan-2-yl]hydrazine
CID 105223148
[1-(2-bromophenyl)-3-cyclobutylpropan-2-yl]hydrazine
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[1-cyclobutyl-3-(2-methylphenyl)propan-2-yl]hydrazine
CID 105208383
[1-(2-chloro-3-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-yl]hydrazine
CID 105223066
[1-(4-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 107895453

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine?
The IUPAC name of [1-(2-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine (CID 103170767) is [1-(2-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(2-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine is NNC(Cc1cccc(F)c1Cl)CC1CCC1.
What is the InChIKey of [1-(2-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine?
The InChIKey is QTPPUKCQFIOVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2/c14-13-10(5-2-6-12(13)15)8-11(17-16)7-9-3-1-4-9/h2,5-6,9,11,17H,1,3-4,7-8,16H2.
What are the key properties of [1-(2-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine?
[1-(2-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine has a molecular weight of 256.75 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine is sourced from PubChem (CID 103170767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).