1-[6-methyl-2-(1,1,1-trifluorobutan-2-yl)cyclohexen-1-yl]-1-propan-2-ylhydrazine

C14H25F3N2 — CID 135215653

IUPAC1-[6-methyl-2-(1,1,1-trifluorobutan-2-yl)cyclohexen-1-yl]-1-propan-2-ylhydrazine
SMILESCCC(C1=C(N(N)C(C)C)C(C)CCC1)C(F)(F)F
InChIInChI=1S/C14H25F3N2/c1-5-12(14(15,16)17)11-8-6-7-10(4)13(11)19(18)9(2)3/h9-10,12H,5-8,18H2,1-4H3
InChIKeyKJJVVNPUSYQTBD-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.23
Rot. Bonds4

About 1-[6-methyl-2-(1,1,1-trifluorobutan-2-yl)cyclohexen-1-yl]-1-propan-2-ylhydrazine

1-[6-methyl-2-(1,1,1-trifluorobutan-2-yl)cyclohexen-1-yl]-1-propan-2-ylhydrazine (PubChem CID 135215653) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[6-methyl-2-(1,1,1-trifluorobutan-2-yl)cyclohexen-1-yl]-1-propan-2-ylhydrazine.

Molecular Properties

Compound Name1-[6-methyl-2-(1,1,1-trifluorobutan-2-yl)cyclohexen-1-yl]-1-propan-2-ylhydrazine
PubChem CID135215653
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC Name1-[6-methyl-2-(1,1,1-trifluorobutan-2-yl)cyclohexen-1-yl]-1-propan-2-ylhydrazine
SMILESCCC(C1=C(N(N)C(C)C)C(C)CCC1)C(F)(F)F
InChIInChI=1S/C14H25F3N2/c1-5-12(14(15,16)17)11-8-6-7-10(4)13(11)19(18)9(2)3/h9-10,12H,5-8,18H2,1-4H3
InChIKeyKJJVVNPUSYQTBD-UHFFFAOYSA-N
XLogP4.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[6-methyl-2-(1,1,1-trifluorobutan-2-yl)cyclohexen-1-yl]-1-propan-2-ylhydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-2-(1,1,1-trifluorobutan-2-yl)cyclohexen-1-yl]-1-propan-2-ylhydrazine?
The IUPAC name of 1-[6-methyl-2-(1,1,1-trifluorobutan-2-yl)cyclohexen-1-yl]-1-propan-2-ylhydrazine (CID 135215653) is 1-[6-methyl-2-(1,1,1-trifluorobutan-2-yl)cyclohexen-1-yl]-1-propan-2-ylhydrazine.
What is the SMILES notation for 1-[6-methyl-2-(1,1,1-trifluorobutan-2-yl)cyclohexen-1-yl]-1-propan-2-ylhydrazine?
The canonical SMILES for 1-[6-methyl-2-(1,1,1-trifluorobutan-2-yl)cyclohexen-1-yl]-1-propan-2-ylhydrazine is CCC(C1=C(N(N)C(C)C)C(C)CCC1)C(F)(F)F.
What is the InChIKey of 1-[6-methyl-2-(1,1,1-trifluorobutan-2-yl)cyclohexen-1-yl]-1-propan-2-ylhydrazine?
The InChIKey is KJJVVNPUSYQTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-5-12(14(15,16)17)11-8-6-7-10(4)13(11)19(18)9(2)3/h9-10,12H,5-8,18H2,1-4H3.
What are the key properties of 1-[6-methyl-2-(1,1,1-trifluorobutan-2-yl)cyclohexen-1-yl]-1-propan-2-ylhydrazine?
1-[6-methyl-2-(1,1,1-trifluorobutan-2-yl)cyclohexen-1-yl]-1-propan-2-ylhydrazine has a molecular weight of 278.36 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-2-(1,1,1-trifluorobutan-2-yl)cyclohexen-1-yl]-1-propan-2-ylhydrazine is sourced from PubChem (CID 135215653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).