N-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroethanamine

C10H16F3N — CID 62326351

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCC1=CCCCC1
InChIInChI=1S/C10H16F3N/c11-10(12,13)8-14-7-6-9-4-2-1-3-5-9/h4,14H,1-3,5-8H2
InChIKeyMWAIDAZNQNYWLW-UHFFFAOYSA-N
MW207.24 g/mol
LogP3.03
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroethanamine

N-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroethanamine (PubChem CID 62326351) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroethanamine
PubChem CID62326351
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCC1=CCCCC1
InChIInChI=1S/C10H16F3N/c11-10(12,13)8-14-7-6-9-4-2-1-3-5-9/h4,14H,1-3,5-8H2
InChIKeyMWAIDAZNQNYWLW-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroethanamine (CID 62326351) is N-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroethanamine is FC(F)(F)CNCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is MWAIDAZNQNYWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N/c11-10(12,13)8-14-7-6-9-4-2-1-3-5-9/h4,14H,1-3,5-8H2.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroethanamine?
N-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroethanamine has a molecular weight of 207.24 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 62326351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).