N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2,2-trifluoroethanamine

C11H18F3N — CID 103275921

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCC1=CC(C)CC(CNCC(F)(F)F)C1
InChIInChI=1S/C11H18F3N/c1-8-3-9(2)5-10(4-8)6-15-7-11(12,13)14/h3,8,10,15H,4-7H2,1-2H3
InChIKeyLTRDURBKMQXGTL-UHFFFAOYSA-N
MW221.27 g/mol
LogP3.13
Rot. Bonds3

About N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2,2-trifluoroethanamine

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 103275921) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID103275921
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCC1=CC(C)CC(CNCC(F)(F)F)C1
InChIInChI=1S/C11H18F3N/c1-8-3-9(2)5-10(4-8)6-15-7-11(12,13)14/h3,8,10,15H,4-7H2,1-2H3
InChIKeyLTRDURBKMQXGTL-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.13
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 N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2,2-trifluoroethanamine (CID 103275921) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2,2-trifluoroethanamine is CC1=CC(C)CC(CNCC(F)(F)F)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is LTRDURBKMQXGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N/c1-8-3-9(2)5-10(4-8)6-15-7-11(12,13)14/h3,8,10,15H,4-7H2,1-2H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 221.27 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 103275921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).