[(5-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methyl]hydrazine

C14H18ClFN2 — CID 106649679

IUPAC[(5-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methyl]hydrazine
SMILESNNC(C1=CCCCCC1)c1cc(Cl)ccc1F
InChIInChI=1S/C14H18ClFN2/c15-11-7-8-13(16)12(9-11)14(18-17)10-5-3-1-2-4-6-10/h5,7-9,14,18H,1-4,6,17H2
InChIKeyAKBAUWBOPHNHRB-UHFFFAOYSA-N
MW268.76 g/mol
LogP3.87
Rot. Bonds3

About [(5-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methyl]hydrazine

[(5-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methyl]hydrazine (PubChem CID 106649679) has the molecular formula C14H18ClFN2 and a molecular weight of 268.76 g/mol. Its IUPAC name is [(5-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methyl]hydrazine
PubChem CID106649679
Molecular FormulaC14H18ClFN2
Molecular Weight268.76 g/mol
Exact Mass268.11
IUPAC Name[(5-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methyl]hydrazine
SMILESNNC(C1=CCCCCC1)c1cc(Cl)ccc1F
InChIInChI=1S/C14H18ClFN2/c15-11-7-8-13(16)12(9-11)14(18-17)10-5-3-1-2-4-6-10/h5,7-9,14,18H,1-4,6,17H2
InChIKeyAKBAUWBOPHNHRB-UHFFFAOYSA-N
XLogP3.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.76
LogP ≤ 53.87
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

[(3-chloro-4-fluorophenyl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106648872
[(3-chlorophenyl)-(cyclohepten-1-yl)methyl]hydrazine
CID 106648562
[(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106694850
(4-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methanamine
CID 55034229
N-[(4-chloro-2-fluorophenyl)-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106652927
[(5-chloro-2-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106649316
1-(5-bromo-2-fluorophenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
CID 62079579
N-[(5-chloro-2-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106656210
[(5-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]hydrazine
CID 105280098
[(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]hydrazine
CID 106650026
1-(3-chloro-4-fluorophenyl)-1-[(1E)-cycloocten-1-yl]-N-methylmethanamine
CID 106652930
cyclohepten-1-yl-(2,5-difluorophenyl)methanamine
CID 106652966

Frequently Asked Questions

What is the IUPAC name of [(5-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methyl]hydrazine?
The IUPAC name of [(5-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methyl]hydrazine (CID 106649679) is [(5-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methyl]hydrazine.
What is the SMILES notation for [(5-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methyl]hydrazine?
The canonical SMILES for [(5-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methyl]hydrazine is NNC(C1=CCCCCC1)c1cc(Cl)ccc1F.
What is the InChIKey of [(5-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methyl]hydrazine?
The InChIKey is AKBAUWBOPHNHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2/c15-11-7-8-13(16)12(9-11)14(18-17)10-5-3-1-2-4-6-10/h5,7-9,14,18H,1-4,6,17H2.
What are the key properties of [(5-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methyl]hydrazine?
[(5-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methyl]hydrazine has a molecular weight of 268.76 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methyl]hydrazine is sourced from PubChem (CID 106649679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).