1-[(3,7-difluorocyclohepta-1,3,6-trien-1-yl)methyl]-1,2-dimethylhydrazine

C10H14F2N2 — CID 166907397

IUPAC1-[(3,7-difluorocyclohepta-1,3,6-trien-1-yl)methyl]-1,2-dimethylhydrazine
SMILESCNN(C)CC1=CC(F)=CCC=C1F
InChIInChI=1S/C10H14F2N2/c1-13-14(2)7-8-6-9(11)4-3-5-10(8)12/h4-6,13H,3,7H2,1-2H3
InChIKeyGWYSQVFAWJGQEA-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.09
Rot. Bonds3

About 1-[(3,7-difluorocyclohepta-1,3,6-trien-1-yl)methyl]-1,2-dimethylhydrazine

1-[(3,7-difluorocyclohepta-1,3,6-trien-1-yl)methyl]-1,2-dimethylhydrazine (PubChem CID 166907397) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-[(3,7-difluorocyclohepta-1,3,6-trien-1-yl)methyl]-1,2-dimethylhydrazine.

Molecular Properties

Compound Name1-[(3,7-difluorocyclohepta-1,3,6-trien-1-yl)methyl]-1,2-dimethylhydrazine
PubChem CID166907397
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name1-[(3,7-difluorocyclohepta-1,3,6-trien-1-yl)methyl]-1,2-dimethylhydrazine
SMILESCNN(C)CC1=CC(F)=CCC=C1F
InChIInChI=1S/C10H14F2N2/c1-13-14(2)7-8-6-9(11)4-3-5-10(8)12/h4-6,13H,3,7H2,1-2H3
InChIKeyGWYSQVFAWJGQEA-UHFFFAOYSA-N
XLogP2.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,7-difluorocyclohepta-1,3,6-trien-1-yl)methyl]-1,2-dimethylhydrazine?
The IUPAC name of 1-[(3,7-difluorocyclohepta-1,3,6-trien-1-yl)methyl]-1,2-dimethylhydrazine (CID 166907397) is 1-[(3,7-difluorocyclohepta-1,3,6-trien-1-yl)methyl]-1,2-dimethylhydrazine.
What is the SMILES notation for 1-[(3,7-difluorocyclohepta-1,3,6-trien-1-yl)methyl]-1,2-dimethylhydrazine?
The canonical SMILES for 1-[(3,7-difluorocyclohepta-1,3,6-trien-1-yl)methyl]-1,2-dimethylhydrazine is CNN(C)CC1=CC(F)=CCC=C1F.
What is the InChIKey of 1-[(3,7-difluorocyclohepta-1,3,6-trien-1-yl)methyl]-1,2-dimethylhydrazine?
The InChIKey is GWYSQVFAWJGQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-13-14(2)7-8-6-9(11)4-3-5-10(8)12/h4-6,13H,3,7H2,1-2H3.
What are the key properties of 1-[(3,7-difluorocyclohepta-1,3,6-trien-1-yl)methyl]-1,2-dimethylhydrazine?
1-[(3,7-difluorocyclohepta-1,3,6-trien-1-yl)methyl]-1,2-dimethylhydrazine has a molecular weight of 200.23 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,7-difluorocyclohepta-1,3,6-trien-1-yl)methyl]-1,2-dimethylhydrazine is sourced from PubChem (CID 166907397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).