[cycloheptyl-[3-(difluoromethoxy)phenyl]methyl]hydrazine

C15H22F2N2O — CID 105330629

IUPAC[cycloheptyl-[3-(difluoromethoxy)phenyl]methyl]hydrazine
SMILESNNC(c1cccc(OC(F)F)c1)C1CCCCCC1
InChIInChI=1S/C15H22F2N2O/c16-15(17)20-13-9-5-8-12(10-13)14(19-18)11-6-3-1-2-4-7-11/h5,8-11,14-15,19H,1-4,6-7,18H2
InChIKeyCIIJLOPNRGLFKP-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.76
Rot. Bonds5

About [cycloheptyl-[3-(difluoromethoxy)phenyl]methyl]hydrazine

[cycloheptyl-[3-(difluoromethoxy)phenyl]methyl]hydrazine (PubChem CID 105330629) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is [cycloheptyl-[3-(difluoromethoxy)phenyl]methyl]hydrazine.

Molecular Properties

Compound Name[cycloheptyl-[3-(difluoromethoxy)phenyl]methyl]hydrazine
PubChem CID105330629
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name[cycloheptyl-[3-(difluoromethoxy)phenyl]methyl]hydrazine
SMILESNNC(c1cccc(OC(F)F)c1)C1CCCCCC1
InChIInChI=1S/C15H22F2N2O/c16-15(17)20-13-9-5-8-12(10-13)14(19-18)11-6-3-1-2-4-7-11/h5,8-11,14-15,19H,1-4,6-7,18H2
InChIKeyCIIJLOPNRGLFKP-UHFFFAOYSA-N
XLogP3.76
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[[3-(difluoromethoxy)phenyl]-(3-methylcyclohexyl)methyl]hydrazine
CID 105313509
[cyclohexyl-(3-methoxyphenyl)methyl]hydrazine
CID 105191678
(R)-cyclohexyl-[3-(difluoromethoxy)phenyl]methanamine
CID 171206139
[cyclopentyl-(3-ethoxyphenyl)methyl]hydrazine
CID 105191906
(1S,2R)-2-amino-1-cyclopentyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171262769
(S)-cyclobutyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 171225709
N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclopentanamine
CID 43200712
(R)-cyclopropyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 171206136
[(3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232508
[(3-methoxyphenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105191732
1-[(S)-cyclopentyl-[3-(difluoromethoxy)phenyl]methyl]piperazine
CID 171165047
[cyclooctyl-(3,5-dimethoxyphenyl)methyl]hydrazine
CID 105255192

Frequently Asked Questions

What is the IUPAC name of [cycloheptyl-[3-(difluoromethoxy)phenyl]methyl]hydrazine?
The IUPAC name of [cycloheptyl-[3-(difluoromethoxy)phenyl]methyl]hydrazine (CID 105330629) is [cycloheptyl-[3-(difluoromethoxy)phenyl]methyl]hydrazine.
What is the SMILES notation for [cycloheptyl-[3-(difluoromethoxy)phenyl]methyl]hydrazine?
The canonical SMILES for [cycloheptyl-[3-(difluoromethoxy)phenyl]methyl]hydrazine is NNC(c1cccc(OC(F)F)c1)C1CCCCCC1.
What is the InChIKey of [cycloheptyl-[3-(difluoromethoxy)phenyl]methyl]hydrazine?
The InChIKey is CIIJLOPNRGLFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c16-15(17)20-13-9-5-8-12(10-13)14(19-18)11-6-3-1-2-4-7-11/h5,8-11,14-15,19H,1-4,6-7,18H2.
What are the key properties of [cycloheptyl-[3-(difluoromethoxy)phenyl]methyl]hydrazine?
[cycloheptyl-[3-(difluoromethoxy)phenyl]methyl]hydrazine has a molecular weight of 284.35 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [cycloheptyl-[3-(difluoromethoxy)phenyl]methyl]hydrazine is sourced from PubChem (CID 105330629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).