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

C13H18ClFN2 — CID 102868874

IUPAC[1-(3-chloro-2-fluorophenyl)-3-cyclopropylbutan-2-yl]hydrazine
SMILESCC(C1CC1)C(Cc1cccc(Cl)c1F)NN
InChIInChI=1S/C13H18ClFN2/c1-8(9-5-6-9)12(17-16)7-10-3-2-4-11(14)13(10)15/h2-4,8-9,12,17H,5-7,16H2,1H3
InChIKeyKTTJXXKKNFFFTR-UHFFFAOYSA-N
MW256.75 g/mol
LogP2.90
Rot. Bonds5

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

[1-(3-chloro-2-fluorophenyl)-3-cyclopropylbutan-2-yl]hydrazine (PubChem CID 102868874) has the molecular formula C13H18ClFN2 and a molecular weight of 256.75 g/mol. Its IUPAC name is [1-(3-chloro-2-fluorophenyl)-3-cyclopropylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-2-fluorophenyl)-3-cyclopropylbutan-2-yl]hydrazine
PubChem CID102868874
Molecular FormulaC13H18ClFN2
Molecular Weight256.75 g/mol
Exact Mass256.11
IUPAC Name[1-(3-chloro-2-fluorophenyl)-3-cyclopropylbutan-2-yl]hydrazine
SMILESCC(C1CC1)C(Cc1cccc(Cl)c1F)NN
InChIInChI=1S/C13H18ClFN2/c1-8(9-5-6-9)12(17-16)7-10-3-2-4-11(14)13(10)15/h2-4,8-9,12,17H,5-7,16H2,1H3
InChIKeyKTTJXXKKNFFFTR-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
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

[2-(3-chloro-2-fluorophenyl)-1-cyclopropylethyl]hydrazine
CID 105264277
[2-(3-chloro-2-fluorophenyl)-1-cycloheptylethyl]hydrazine
CID 105264361
[2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105264342
2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 102857380
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 82805685
2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol
CID 82802724
[3-cyclopropyl-1-(2-methoxyphenyl)butan-2-yl]hydrazine
CID 105289407
[3-cyclopropyl-1-(4-fluorophenyl)butan-2-yl]hydrazine
CID 105283735
[1-(3-chloro-2-fluorophenyl)-3-ethylheptan-2-yl]hydrazine
CID 102868832
2-(3-chloro-2-fluorophenyl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 102867266
[1-(3-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-yl]hydrazine
CID 102868743
[3-cyclopropyl-1-(2,6-dimethylphenyl)butan-2-yl]hydrazine
CID 105329122

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-fluorophenyl)-3-cyclopropylbutan-2-yl]hydrazine?
The IUPAC name of [1-(3-chloro-2-fluorophenyl)-3-cyclopropylbutan-2-yl]hydrazine (CID 102868874) is [1-(3-chloro-2-fluorophenyl)-3-cyclopropylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-chloro-2-fluorophenyl)-3-cyclopropylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(3-chloro-2-fluorophenyl)-3-cyclopropylbutan-2-yl]hydrazine is CC(C1CC1)C(Cc1cccc(Cl)c1F)NN.
What is the InChIKey of [1-(3-chloro-2-fluorophenyl)-3-cyclopropylbutan-2-yl]hydrazine?
The InChIKey is KTTJXXKKNFFFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2/c1-8(9-5-6-9)12(17-16)7-10-3-2-4-11(14)13(10)15/h2-4,8-9,12,17H,5-7,16H2,1H3.
What are the key properties of [1-(3-chloro-2-fluorophenyl)-3-cyclopropylbutan-2-yl]hydrazine?
[1-(3-chloro-2-fluorophenyl)-3-cyclopropylbutan-2-yl]hydrazine has a molecular weight of 256.75 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-fluorophenyl)-3-cyclopropylbutan-2-yl]hydrazine is sourced from PubChem (CID 102868874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).