[[(1E)-cycloocten-1-yl]-[4-(difluoromethoxy)phenyl]methyl]hydrazine

C16H22F2N2O — CID 106650017

IUPAC[[(1E)-cycloocten-1-yl]-[4-(difluoromethoxy)phenyl]methyl]hydrazine
SMILESNNC(/C1=C/CCCCCC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H22F2N2O/c17-16(18)21-14-10-8-13(9-11-14)15(20-19)12-6-4-2-1-3-5-7-12/h6,8-11,15-16,20H,1-5,7,19H2/b12-6+
InChIKeyJOESCNIJWRJOEK-WUXMJOGZSA-N
MW296.36 g/mol
LogP4.07
Rot. Bonds5

About [[(1E)-cycloocten-1-yl]-[4-(difluoromethoxy)phenyl]methyl]hydrazine

[[(1E)-cycloocten-1-yl]-[4-(difluoromethoxy)phenyl]methyl]hydrazine (PubChem CID 106650017) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is [[(1E)-cycloocten-1-yl]-[4-(difluoromethoxy)phenyl]methyl]hydrazine.

Molecular Properties

Compound Name[[(1E)-cycloocten-1-yl]-[4-(difluoromethoxy)phenyl]methyl]hydrazine
PubChem CID106650017
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name[[(1E)-cycloocten-1-yl]-[4-(difluoromethoxy)phenyl]methyl]hydrazine
SMILESNNC(/C1=C/CCCCCC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H22F2N2O/c17-16(18)21-14-10-8-13(9-11-14)15(20-19)12-6-4-2-1-3-5-7-12/h6,8-11,15-16,20H,1-5,7,19H2/b12-6+
InChIKeyJOESCNIJWRJOEK-WUXMJOGZSA-N
XLogP4.07
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(cyclohexen-1-yl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 62080331
[cyclohepten-1-yl-(4-ethylphenyl)methyl]hydrazine
CID 106648595
[cyclohepten-1-yl(naphthalen-2-yl)methyl]hydrazine
CID 106648805
[(3-chloro-4-fluorophenyl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106648872
[(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]hydrazine
CID 106650026
[cyclohexen-1-yl-(3,4-dimethylphenyl)methyl]hydrazine
CID 106650598
[cyclohepten-1-yl-(3-methylphenyl)methyl]hydrazine
CID 106648636
N-[cyclohexen-1-yl-[3-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 63506625
1-[(1E)-cycloocten-1-yl]-1-[2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 106656311
[(5-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methyl]hydrazine
CID 106649679
[(3-chlorothiophen-2-yl)-(cyclohepten-1-yl)methyl]hydrazine
CID 106650182
[(5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methyl]hydrazine
CID 106650019

Frequently Asked Questions

What is the IUPAC name of [[(1E)-cycloocten-1-yl]-[4-(difluoromethoxy)phenyl]methyl]hydrazine?
The IUPAC name of [[(1E)-cycloocten-1-yl]-[4-(difluoromethoxy)phenyl]methyl]hydrazine (CID 106650017) is [[(1E)-cycloocten-1-yl]-[4-(difluoromethoxy)phenyl]methyl]hydrazine.
What is the SMILES notation for [[(1E)-cycloocten-1-yl]-[4-(difluoromethoxy)phenyl]methyl]hydrazine?
The canonical SMILES for [[(1E)-cycloocten-1-yl]-[4-(difluoromethoxy)phenyl]methyl]hydrazine is NNC(/C1=C/CCCCCC1)c1ccc(OC(F)F)cc1.
What is the InChIKey of [[(1E)-cycloocten-1-yl]-[4-(difluoromethoxy)phenyl]methyl]hydrazine?
The InChIKey is JOESCNIJWRJOEK-WUXMJOGZSA-N. The full InChI is InChI=1S/C16H22F2N2O/c17-16(18)21-14-10-8-13(9-11-14)15(20-19)12-6-4-2-1-3-5-7-12/h6,8-11,15-16,20H,1-5,7,19H2/b12-6+.
What are the key properties of [[(1E)-cycloocten-1-yl]-[4-(difluoromethoxy)phenyl]methyl]hydrazine?
[[(1E)-cycloocten-1-yl]-[4-(difluoromethoxy)phenyl]methyl]hydrazine has a molecular weight of 296.36 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(1E)-cycloocten-1-yl]-[4-(difluoromethoxy)phenyl]methyl]hydrazine is sourced from PubChem (CID 106650017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).