1-[(1R)-cyclohex-3-en-1-yl]-2,2,2-trifluoro-N-methylethanamine

C9H14F3N — CID 55296159

IUPAC1-[(1R)-cyclohex-3-en-1-yl]-2,2,2-trifluoro-N-methylethanamine
SMILESCNC([C@H]1CC=CCC1)C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-13-8(9(10,11)12)7-5-3-2-4-6-7/h2-3,7-8,13H,4-6H2,1H3/t7-,8?/m0/s1
InChIKeyMTCSYOIJYDHVJN-JAMMHHFISA-N
MW193.21 g/mol
LogP2.49
Rot. Bonds2

About 1-[(1R)-cyclohex-3-en-1-yl]-2,2,2-trifluoro-N-methylethanamine

1-[(1R)-cyclohex-3-en-1-yl]-2,2,2-trifluoro-N-methylethanamine (PubChem CID 55296159) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-[(1R)-cyclohex-3-en-1-yl]-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound Name1-[(1R)-cyclohex-3-en-1-yl]-2,2,2-trifluoro-N-methylethanamine
PubChem CID55296159
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name1-[(1R)-cyclohex-3-en-1-yl]-2,2,2-trifluoro-N-methylethanamine
SMILESCNC([C@H]1CC=CCC1)C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-13-8(9(10,11)12)7-5-3-2-4-6-7/h2-3,7-8,13H,4-6H2,1H3/t7-,8?/m0/s1
InChIKeyMTCSYOIJYDHVJN-JAMMHHFISA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.49
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-[(1R)-cyclohex-3-en-1-yl]-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of 1-[(1R)-cyclohex-3-en-1-yl]-2,2,2-trifluoro-N-methylethanamine (CID 55296159) is 1-[(1R)-cyclohex-3-en-1-yl]-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for 1-[(1R)-cyclohex-3-en-1-yl]-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for 1-[(1R)-cyclohex-3-en-1-yl]-2,2,2-trifluoro-N-methylethanamine is CNC([C@H]1CC=CCC1)C(F)(F)F.
What is the InChIKey of 1-[(1R)-cyclohex-3-en-1-yl]-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is MTCSYOIJYDHVJN-JAMMHHFISA-N. The full InChI is InChI=1S/C9H14F3N/c1-13-8(9(10,11)12)7-5-3-2-4-6-7/h2-3,7-8,13H,4-6H2,1H3/t7-,8?/m0/s1.
What are the key properties of 1-[(1R)-cyclohex-3-en-1-yl]-2,2,2-trifluoro-N-methylethanamine?
1-[(1R)-cyclohex-3-en-1-yl]-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 193.21 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-cyclohex-3-en-1-yl]-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 55296159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).