[1-(2,3-difluorophenyl)-4,6,6-trimethylheptan-2-yl]hydrazine

C16H26F2N2 — CID 105297922

IUPAC[1-(2,3-difluorophenyl)-4,6,6-trimethylheptan-2-yl]hydrazine
SMILESCC(CC(Cc1cccc(F)c1F)NN)CC(C)(C)C
InChIInChI=1S/C16H26F2N2/c1-11(10-16(2,3)4)8-13(20-19)9-12-6-5-7-14(17)15(12)18/h5-7,11,13,20H,8-10,19H2,1-4H3
InChIKeyZSUXMLDLQUWDIW-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.80
Rot. Bonds6

About [1-(2,3-difluorophenyl)-4,6,6-trimethylheptan-2-yl]hydrazine

[1-(2,3-difluorophenyl)-4,6,6-trimethylheptan-2-yl]hydrazine (PubChem CID 105297922) has the molecular formula C16H26F2N2 and a molecular weight of 284.39 g/mol. Its IUPAC name is [1-(2,3-difluorophenyl)-4,6,6-trimethylheptan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-difluorophenyl)-4,6,6-trimethylheptan-2-yl]hydrazine
PubChem CID105297922
Molecular FormulaC16H26F2N2
Molecular Weight284.39 g/mol
Exact Mass284.21
IUPAC Name[1-(2,3-difluorophenyl)-4,6,6-trimethylheptan-2-yl]hydrazine
SMILESCC(CC(Cc1cccc(F)c1F)NN)CC(C)(C)C
InChIInChI=1S/C16H26F2N2/c1-11(10-16(2,3)4)8-13(20-19)9-12-6-5-7-14(17)15(12)18/h5-7,11,13,20H,8-10,19H2,1-4H3
InChIKeyZSUXMLDLQUWDIW-UHFFFAOYSA-N
XLogP3.80
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.80
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

[1-(2,3-difluorophenyl)-4-methylheptan-2-yl]hydrazine
CID 105298128
3-(2,3-difluorophenyl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244886
[1-(5-chloro-2-methoxyphenyl)-4,6,6-trimethylheptan-2-yl]hydrazine
CID 105297547
1-(2,3-difluorophenyl)-4,6,6-trimethylheptan-2-one
CID 114968684
4-(2,3-difluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259354
1-(2,3-difluorophenyl)-4,4-dimethylpentan-2-ol
CID 63891069
[1-(2,6-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-yl]hydrazine
CID 105209834
[1-(2-chloro-3-fluorophenyl)-4-methylpentan-2-yl]hydrazine
CID 105198841
4-(2,3-difluorophenyl)-N,N-diethyl-3-hydrazinylbutan-1-amine
CID 105244189
1-(2,6-difluorophenyl)-4,6,6-trimethylheptan-2-amine
CID 105055601
[1-(2,6-difluorophenyl)-4,6-dimethylheptan-2-yl]hydrazine
CID 114201921
[1-(4-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-yl]hydrazine
CID 105342687

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-difluorophenyl)-4,6,6-trimethylheptan-2-yl]hydrazine?
The IUPAC name of [1-(2,3-difluorophenyl)-4,6,6-trimethylheptan-2-yl]hydrazine (CID 105297922) is [1-(2,3-difluorophenyl)-4,6,6-trimethylheptan-2-yl]hydrazine.
What is the SMILES notation for [1-(2,3-difluorophenyl)-4,6,6-trimethylheptan-2-yl]hydrazine?
The canonical SMILES for [1-(2,3-difluorophenyl)-4,6,6-trimethylheptan-2-yl]hydrazine is CC(CC(Cc1cccc(F)c1F)NN)CC(C)(C)C.
What is the InChIKey of [1-(2,3-difluorophenyl)-4,6,6-trimethylheptan-2-yl]hydrazine?
The InChIKey is ZSUXMLDLQUWDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2N2/c1-11(10-16(2,3)4)8-13(20-19)9-12-6-5-7-14(17)15(12)18/h5-7,11,13,20H,8-10,19H2,1-4H3.
What are the key properties of [1-(2,3-difluorophenyl)-4,6,6-trimethylheptan-2-yl]hydrazine?
[1-(2,3-difluorophenyl)-4,6,6-trimethylheptan-2-yl]hydrazine has a molecular weight of 284.39 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-difluorophenyl)-4,6,6-trimethylheptan-2-yl]hydrazine is sourced from PubChem (CID 105297922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).