1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-amine

C10H13F6N — CID 166698185

IUPAC1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-amine
SMILESCC1C(C(F)(F)F)C=C(C(F)(F)F)CC1(C)N
InChIInChI=1S/C10H13F6N/c1-5-7(10(14,15)16)3-6(9(11,12)13)4-8(5,2)17/h3,5,7H,4,17H2,1-2H3
InChIKeyQZCYIBJONBZLRK-UHFFFAOYSA-N
MW261.21 g/mol
LogP3.41
Rot. Bonds

About 1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-amine

1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-amine (PubChem CID 166698185) has the molecular formula C10H13F6N and a molecular weight of 261.21 g/mol. Its IUPAC name is 1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-amine.

Molecular Properties

Compound Name1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-amine
PubChem CID166698185
Molecular FormulaC10H13F6N
Molecular Weight261.21 g/mol
Exact Mass261.10
IUPAC Name1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-amine
SMILESCC1C(C(F)(F)F)C=C(C(F)(F)F)CC1(C)N
InChIInChI=1S/C10H13F6N/c1-5-7(10(14,15)16)3-6(9(11,12)13)4-8(5,2)17/h3,5,7H,4,17H2,1-2H3
InChIKeyQZCYIBJONBZLRK-UHFFFAOYSA-N
XLogP3.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-amine?
The IUPAC name of 1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-amine (CID 166698185) is 1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-amine.
What is the SMILES notation for 1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-amine?
The canonical SMILES for 1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-amine is CC1C(C(F)(F)F)C=C(C(F)(F)F)CC1(C)N.
What is the InChIKey of 1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-amine?
The InChIKey is QZCYIBJONBZLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6N/c1-5-7(10(14,15)16)3-6(9(11,12)13)4-8(5,2)17/h3,5,7H,4,17H2,1-2H3.
What are the key properties of 1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-amine?
1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-amine has a molecular weight of 261.21 g/mol, XLogP of 3.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-amine is sourced from PubChem (CID 166698185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).