1-[(1S,2S,6R)-4-fluoro-2,6-dimethyl-3-(trifluoromethyl)cyclohex-3-en-1-yl]-2-methylhydrazine

C10H16F4N2 — CID 162598669

IUPAC1-[(1S,2S,6R)-4-fluoro-2,6-dimethyl-3-(trifluoromethyl)cyclohex-3-en-1-yl]-2-methylhydrazine
SMILESCNN[C@H]1[C@H](C)CC(F)=C(C(F)(F)F)[C@@H]1C
InChIInChI=1S/C10H16F4N2/c1-5-4-7(11)8(10(12,13)14)6(2)9(5)16-15-3/h5-6,9,15-16H,4H2,1-3H3/t5-,6+,9+/m1/s1
InChIKeyMUQUHBMHFMYHSF-JHEQGTHGSA-N
MW240.24 g/mol
LogP2.54
Rot. Bonds2

About 1-[(1S,2S,6R)-4-fluoro-2,6-dimethyl-3-(trifluoromethyl)cyclohex-3-en-1-yl]-2-methylhydrazine

1-[(1S,2S,6R)-4-fluoro-2,6-dimethyl-3-(trifluoromethyl)cyclohex-3-en-1-yl]-2-methylhydrazine (PubChem CID 162598669) has the molecular formula C10H16F4N2 and a molecular weight of 240.24 g/mol. Its IUPAC name is 1-[(1S,2S,6R)-4-fluoro-2,6-dimethyl-3-(trifluoromethyl)cyclohex-3-en-1-yl]-2-methylhydrazine.

Molecular Properties

Compound Name1-[(1S,2S,6R)-4-fluoro-2,6-dimethyl-3-(trifluoromethyl)cyclohex-3-en-1-yl]-2-methylhydrazine
PubChem CID162598669
Molecular FormulaC10H16F4N2
Molecular Weight240.24 g/mol
Exact Mass240.12
IUPAC Name1-[(1S,2S,6R)-4-fluoro-2,6-dimethyl-3-(trifluoromethyl)cyclohex-3-en-1-yl]-2-methylhydrazine
SMILESCNN[C@H]1[C@H](C)CC(F)=C(C(F)(F)F)[C@@H]1C
InChIInChI=1S/C10H16F4N2/c1-5-4-7(11)8(10(12,13)14)6(2)9(5)16-15-3/h5-6,9,15-16H,4H2,1-3H3/t5-,6+,9+/m1/s1
InChIKeyMUQUHBMHFMYHSF-JHEQGTHGSA-N
XLogP2.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 52.54
H-Bond Donors ≤ 52
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-[(1S,2S,6R)-4-fluoro-2,6-dimethyl-3-(trifluoromethyl)cyclohex-3-en-1-yl]-2-methylhydrazine?
The IUPAC name of 1-[(1S,2S,6R)-4-fluoro-2,6-dimethyl-3-(trifluoromethyl)cyclohex-3-en-1-yl]-2-methylhydrazine (CID 162598669) is 1-[(1S,2S,6R)-4-fluoro-2,6-dimethyl-3-(trifluoromethyl)cyclohex-3-en-1-yl]-2-methylhydrazine.
What is the SMILES notation for 1-[(1S,2S,6R)-4-fluoro-2,6-dimethyl-3-(trifluoromethyl)cyclohex-3-en-1-yl]-2-methylhydrazine?
The canonical SMILES for 1-[(1S,2S,6R)-4-fluoro-2,6-dimethyl-3-(trifluoromethyl)cyclohex-3-en-1-yl]-2-methylhydrazine is CNN[C@H]1[C@H](C)CC(F)=C(C(F)(F)F)[C@@H]1C.
What is the InChIKey of 1-[(1S,2S,6R)-4-fluoro-2,6-dimethyl-3-(trifluoromethyl)cyclohex-3-en-1-yl]-2-methylhydrazine?
The InChIKey is MUQUHBMHFMYHSF-JHEQGTHGSA-N. The full InChI is InChI=1S/C10H16F4N2/c1-5-4-7(11)8(10(12,13)14)6(2)9(5)16-15-3/h5-6,9,15-16H,4H2,1-3H3/t5-,6+,9+/m1/s1.
What are the key properties of 1-[(1S,2S,6R)-4-fluoro-2,6-dimethyl-3-(trifluoromethyl)cyclohex-3-en-1-yl]-2-methylhydrazine?
1-[(1S,2S,6R)-4-fluoro-2,6-dimethyl-3-(trifluoromethyl)cyclohex-3-en-1-yl]-2-methylhydrazine has a molecular weight of 240.24 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S,6R)-4-fluoro-2,6-dimethyl-3-(trifluoromethyl)cyclohex-3-en-1-yl]-2-methylhydrazine is sourced from PubChem (CID 162598669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).