N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-amine

C8H12F3N — CID 107906479

IUPACN-(2,2,2-trifluoroethyl)cyclohex-2-en-1-amine
SMILESFC(F)(F)CNC1C=CCCC1
InChIInChI=1S/C8H12F3N/c9-8(10,11)6-12-7-4-2-1-3-5-7/h2,4,7,12H,1,3,5-6H2
InChIKeyMOYJWGRNLNKODR-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.25
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-amine

N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-amine (PubChem CID 107906479) has the molecular formula C8H12F3N and a molecular weight of 179.19 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)cyclohex-2-en-1-amine
PubChem CID107906479
Molecular FormulaC8H12F3N
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC NameN-(2,2,2-trifluoroethyl)cyclohex-2-en-1-amine
SMILESFC(F)(F)CNC1C=CCCC1
InChIInChI=1S/C8H12F3N/c9-8(10,11)6-12-7-4-2-1-3-5-7/h2,4,7,12H,1,3,5-6H2
InChIKeyMOYJWGRNLNKODR-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.25
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-(2,2,2-trifluoroethyl)cyclohex-2-en-1-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-amine (CID 107906479) is N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-amine is FC(F)(F)CNC1C=CCCC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-amine?
The InChIKey is MOYJWGRNLNKODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c9-8(10,11)6-12-7-4-2-1-3-5-7/h2,4,7,12H,1,3,5-6H2.
What are the key properties of N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-amine?
N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-amine has a molecular weight of 179.19 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 107906479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).