[1-(3,5-difluorophenyl)-4-methylpent-4-en-2-yl]hydrazine

C12H16F2N2 — CID 105206774

IUPAC[1-(3,5-difluorophenyl)-4-methylpent-4-en-2-yl]hydrazine
SMILESC=C(C)CC(Cc1cc(F)cc(F)c1)NN
InChIInChI=1S/C12H16F2N2/c1-8(2)3-12(16-15)6-9-4-10(13)7-11(14)5-9/h4-5,7,12,16H,1,3,6,15H2,2H3
InChIKeyJISHKTJBTJROSX-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.31
Rot. Bonds5

About [1-(3,5-difluorophenyl)-4-methylpent-4-en-2-yl]hydrazine

[1-(3,5-difluorophenyl)-4-methylpent-4-en-2-yl]hydrazine (PubChem CID 105206774) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is [1-(3,5-difluorophenyl)-4-methylpent-4-en-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3,5-difluorophenyl)-4-methylpent-4-en-2-yl]hydrazine
PubChem CID105206774
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name[1-(3,5-difluorophenyl)-4-methylpent-4-en-2-yl]hydrazine
SMILESC=C(C)CC(Cc1cc(F)cc(F)c1)NN
InChIInChI=1S/C12H16F2N2/c1-8(2)3-12(16-15)6-9-4-10(13)7-11(14)5-9/h4-5,7,12,16H,1,3,6,15H2,2H3
InChIKeyJISHKTJBTJROSX-UHFFFAOYSA-N
XLogP2.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.31
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

[1-(3,5-difluorophenyl)-3-ethoxypropan-2-yl]hydrazine
CID 105206665
1-(4-fluorophenyl)-N,4-dimethylpent-4-en-2-amine
CID 79179136
[1-cyclopropyl-3-(3,5-difluorophenyl)propan-2-yl]hydrazine
CID 105206578
1-(3,5-difluorophenyl)-5-methyl-N-propylhex-5-en-2-amine
CID 114474365
[1-(3,5-difluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105206742
[1-(4-fluorophenyl)-5-methylhex-5-en-2-yl]hydrazine
CID 105198284
[1-(4-tert-butyl-2,6-dimethylphenyl)-4-methylpent-4-en-2-yl]hydrazine
CID 105197853
[1-(4-fluorophenyl)sulfanyl-4-methylpent-4-en-2-yl]hydrazine
CID 105236768
(1R)-1-(3,5-difluorophenyl)-3-methylbut-3-en-1-amine
CID 131002323
[1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105206782
1-(3,5-difluorophenyl)-4-methylidene-N-propylhexan-2-amine
CID 66039224
[4-cyclopropyl-1-(3,5-difluorophenyl)butan-2-yl]hydrazine
CID 105206736

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-difluorophenyl)-4-methylpent-4-en-2-yl]hydrazine?
The IUPAC name of [1-(3,5-difluorophenyl)-4-methylpent-4-en-2-yl]hydrazine (CID 105206774) is [1-(3,5-difluorophenyl)-4-methylpent-4-en-2-yl]hydrazine.
What is the SMILES notation for [1-(3,5-difluorophenyl)-4-methylpent-4-en-2-yl]hydrazine?
The canonical SMILES for [1-(3,5-difluorophenyl)-4-methylpent-4-en-2-yl]hydrazine is C=C(C)CC(Cc1cc(F)cc(F)c1)NN.
What is the InChIKey of [1-(3,5-difluorophenyl)-4-methylpent-4-en-2-yl]hydrazine?
The InChIKey is JISHKTJBTJROSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c1-8(2)3-12(16-15)6-9-4-10(13)7-11(14)5-9/h4-5,7,12,16H,1,3,6,15H2,2H3.
What are the key properties of [1-(3,5-difluorophenyl)-4-methylpent-4-en-2-yl]hydrazine?
[1-(3,5-difluorophenyl)-4-methylpent-4-en-2-yl]hydrazine has a molecular weight of 226.27 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-difluorophenyl)-4-methylpent-4-en-2-yl]hydrazine is sourced from PubChem (CID 105206774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).