[7-bicyclo[4.1.0]heptanyl-(3,4-difluorophenyl)methyl]hydrazine

C14H18F2N2 — CID 105304990

IUPAC[7-bicyclo[4.1.0]heptanyl-(3,4-difluorophenyl)methyl]hydrazine
SMILESNNC(c1ccc(F)c(F)c1)C1C2CCCCC21
InChIInChI=1S/C14H18F2N2/c15-11-6-5-8(7-12(11)16)14(18-17)13-9-3-1-2-4-10(9)13/h5-7,9-10,13-14,18H,1-4,17H2
InChIKeyXRGYALQRYAYDIZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.91
Rot. Bonds3

About [7-bicyclo[4.1.0]heptanyl-(3,4-difluorophenyl)methyl]hydrazine

[7-bicyclo[4.1.0]heptanyl-(3,4-difluorophenyl)methyl]hydrazine (PubChem CID 105304990) has the molecular formula C14H18F2N2 and a molecular weight of 252.31 g/mol. Its IUPAC name is [7-bicyclo[4.1.0]heptanyl-(3,4-difluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[7-bicyclo[4.1.0]heptanyl-(3,4-difluorophenyl)methyl]hydrazine
PubChem CID105304990
Molecular FormulaC14H18F2N2
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name[7-bicyclo[4.1.0]heptanyl-(3,4-difluorophenyl)methyl]hydrazine
SMILESNNC(c1ccc(F)c(F)c1)C1C2CCCCC21
InChIInChI=1S/C14H18F2N2/c15-11-6-5-8(7-12(11)16)14(18-17)13-9-3-1-2-4-10(9)13/h5-7,9-10,13-14,18H,1-4,17H2
InChIKeyXRGYALQRYAYDIZ-UHFFFAOYSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.91
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

[6-bicyclo[3.1.0]hexanyl-(3,4-dimethylphenyl)methyl]hydrazine
CID 105300274
[7-bicyclo[4.1.0]heptanyl-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105302349
[(3,4-difluorophenyl)-(oxan-4-yl)methyl]hydrazine
CID 105197058
[(4-tert-butylcyclohexyl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105232707
[(3-bromo-4-fluorophenyl)-cyclopentylmethyl]hydrazine
CID 105264024
[7-bicyclo[4.1.0]heptanyl(pyrimidin-5-yl)methyl]hydrazine
CID 105292201
[6-bicyclo[3.1.0]hexanyl-(4-chloro-3-methoxyphenyl)methyl]hydrazine
CID 105320826
[7-bicyclo[4.1.0]heptanyl-(5-fluoro-2-methylphenyl)methyl]hydrazine
CID 105302216
[(3,4-difluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105197240
[7-bicyclo[4.1.0]heptanyl-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105339280
[cyclohexyl-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105282065
[(3,4-difluorophenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105259573

Frequently Asked Questions

What is the IUPAC name of [7-bicyclo[4.1.0]heptanyl-(3,4-difluorophenyl)methyl]hydrazine?
The IUPAC name of [7-bicyclo[4.1.0]heptanyl-(3,4-difluorophenyl)methyl]hydrazine (CID 105304990) is [7-bicyclo[4.1.0]heptanyl-(3,4-difluorophenyl)methyl]hydrazine.
What is the SMILES notation for [7-bicyclo[4.1.0]heptanyl-(3,4-difluorophenyl)methyl]hydrazine?
The canonical SMILES for [7-bicyclo[4.1.0]heptanyl-(3,4-difluorophenyl)methyl]hydrazine is NNC(c1ccc(F)c(F)c1)C1C2CCCCC21.
What is the InChIKey of [7-bicyclo[4.1.0]heptanyl-(3,4-difluorophenyl)methyl]hydrazine?
The InChIKey is XRGYALQRYAYDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2/c15-11-6-5-8(7-12(11)16)14(18-17)13-9-3-1-2-4-10(9)13/h5-7,9-10,13-14,18H,1-4,17H2.
What are the key properties of [7-bicyclo[4.1.0]heptanyl-(3,4-difluorophenyl)methyl]hydrazine?
[7-bicyclo[4.1.0]heptanyl-(3,4-difluorophenyl)methyl]hydrazine has a molecular weight of 252.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-bicyclo[4.1.0]heptanyl-(3,4-difluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105304990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).