[(3-chloro-4-fluorophenyl)-(cyclohexen-1-yl)methyl]hydrazine

C13H16ClFN2 — CID 106648872

IUPAC[(3-chloro-4-fluorophenyl)-(cyclohexen-1-yl)methyl]hydrazine
SMILESNNC(C1=CCCCC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H16ClFN2/c14-11-8-10(6-7-12(11)15)13(17-16)9-4-2-1-3-5-9/h4,6-8,13,17H,1-3,5,16H2
InChIKeyPXSDPRBCALLTPX-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.48
Rot. Bonds3

About [(3-chloro-4-fluorophenyl)-(cyclohexen-1-yl)methyl]hydrazine

[(3-chloro-4-fluorophenyl)-(cyclohexen-1-yl)methyl]hydrazine (PubChem CID 106648872) has the molecular formula C13H16ClFN2 and a molecular weight of 254.74 g/mol. Its IUPAC name is [(3-chloro-4-fluorophenyl)-(cyclohexen-1-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-chloro-4-fluorophenyl)-(cyclohexen-1-yl)methyl]hydrazine
PubChem CID106648872
Molecular FormulaC13H16ClFN2
Molecular Weight254.74 g/mol
Exact Mass254.10
IUPAC Name[(3-chloro-4-fluorophenyl)-(cyclohexen-1-yl)methyl]hydrazine
SMILESNNC(C1=CCCCC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H16ClFN2/c14-11-8-10(6-7-12(11)15)13(17-16)9-4-2-1-3-5-9/h4,6-8,13,17H,1-3,5,16H2
InChIKeyPXSDPRBCALLTPX-UHFFFAOYSA-N
XLogP3.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-fluorophenyl)-1-[(1E)-cycloocten-1-yl]-N-methylmethanamine
CID 106652930
[(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]hydrazine
CID 106650026
[(3-chlorophenyl)-(cyclohepten-1-yl)methyl]hydrazine
CID 106648562
[(5-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methyl]hydrazine
CID 106649679
[cyclohexen-1-yl-(3,4-dimethylphenyl)methyl]hydrazine
CID 106650598
[(6-chloro-3-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106649336
1-(4-chloro-3-fluorophenyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 107995961
[cyclohepten-1-yl(naphthalen-2-yl)methyl]hydrazine
CID 106648805
[cyclohepten-1-yl-(4-ethylphenyl)methyl]hydrazine
CID 106648595
[(3-chloro-4-fluorophenyl)-phenylmethyl]hydrazine
CID 105218019
[[(1E)-cycloocten-1-yl]-[4-(difluoromethoxy)phenyl]methyl]hydrazine
CID 106650017
[(3-chloro-4-fluorophenyl)-(2,3-dihydrofuran-5-yl)methyl]hydrazine
CID 102654140

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-4-fluorophenyl)-(cyclohexen-1-yl)methyl]hydrazine?
The IUPAC name of [(3-chloro-4-fluorophenyl)-(cyclohexen-1-yl)methyl]hydrazine (CID 106648872) is [(3-chloro-4-fluorophenyl)-(cyclohexen-1-yl)methyl]hydrazine.
What is the SMILES notation for [(3-chloro-4-fluorophenyl)-(cyclohexen-1-yl)methyl]hydrazine?
The canonical SMILES for [(3-chloro-4-fluorophenyl)-(cyclohexen-1-yl)methyl]hydrazine is NNC(C1=CCCCC1)c1ccc(F)c(Cl)c1.
What is the InChIKey of [(3-chloro-4-fluorophenyl)-(cyclohexen-1-yl)methyl]hydrazine?
The InChIKey is PXSDPRBCALLTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2/c14-11-8-10(6-7-12(11)15)13(17-16)9-4-2-1-3-5-9/h4,6-8,13,17H,1-3,5,16H2.
What are the key properties of [(3-chloro-4-fluorophenyl)-(cyclohexen-1-yl)methyl]hydrazine?
[(3-chloro-4-fluorophenyl)-(cyclohexen-1-yl)methyl]hydrazine has a molecular weight of 254.74 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-4-fluorophenyl)-(cyclohexen-1-yl)methyl]hydrazine is sourced from PubChem (CID 106648872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).