1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohex-2-en-1-yl]ethanamine

C10H16F3N — CID 71008416

IUPAC1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohex-2-en-1-yl]ethanamine
SMILESCC(N)C1C=CC(C(F)(F)F)C[C@H]1C
InChIInChI=1S/C10H16F3N/c1-6-5-8(10(11,12)13)3-4-9(6)7(2)14/h3-4,6-9H,5,14H2,1-2H3/t6-,7?,8?,9?/m1/s1
InChIKeyPLOMLNXNOFHLJL-LJSVPSOQSA-N
MW207.24 g/mol
LogP2.72
Rot. Bonds1

About 1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohex-2-en-1-yl]ethanamine

1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohex-2-en-1-yl]ethanamine (PubChem CID 71008416) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is 1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohex-2-en-1-yl]ethanamine.

Molecular Properties

Compound Name1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohex-2-en-1-yl]ethanamine
PubChem CID71008416
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohex-2-en-1-yl]ethanamine
SMILESCC(N)C1C=CC(C(F)(F)F)C[C@H]1C
InChIInChI=1S/C10H16F3N/c1-6-5-8(10(11,12)13)3-4-9(6)7(2)14/h3-4,6-9H,5,14H2,1-2H3/t6-,7?,8?,9?/m1/s1
InChIKeyPLOMLNXNOFHLJL-LJSVPSOQSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 52.72
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-[(6R)-6-methyl-4-(trifluoromethyl)cyclohex-2-en-1-yl]ethanamine?
The IUPAC name of 1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohex-2-en-1-yl]ethanamine (CID 71008416) is 1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohex-2-en-1-yl]ethanamine.
What is the SMILES notation for 1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohex-2-en-1-yl]ethanamine?
The canonical SMILES for 1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohex-2-en-1-yl]ethanamine is CC(N)C1C=CC(C(F)(F)F)C[C@H]1C.
What is the InChIKey of 1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohex-2-en-1-yl]ethanamine?
The InChIKey is PLOMLNXNOFHLJL-LJSVPSOQSA-N. The full InChI is InChI=1S/C10H16F3N/c1-6-5-8(10(11,12)13)3-4-9(6)7(2)14/h3-4,6-9H,5,14H2,1-2H3/t6-,7?,8?,9?/m1/s1.
What are the key properties of 1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohex-2-en-1-yl]ethanamine?
1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohex-2-en-1-yl]ethanamine has a molecular weight of 207.24 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohex-2-en-1-yl]ethanamine is sourced from PubChem (CID 71008416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).