ethylcyclohexane;(E)-3-methylpent-2-ene;2,2,2-trifluoroethanamine

C16H32F3N — CID 143682814

IUPACethylcyclohexane;(E)-3-methylpent-2-ene;2,2,2-trifluoroethanamine
SMILESC/C=C(\C)CC.CCC1CCCCC1.NCC(F)(F)F
InChIInChI=1S/C8H16.C6H12.C2H4F3N/c1-2-8-6-4-3-5-7-8;1-4-6(3)5-2;3-2(4,5)1-6/h8H,2-7H2,1H3;4H,5H2,1-3H3;1,6H2/b;6-4+;
InChIKeyBHCQQFTYHOLROC-HWWUXOKASA-N
MW295.43 g/mol
LogP5.85
Rot. Bonds2

About ethylcyclohexane;(E)-3-methylpent-2-ene;2,2,2-trifluoroethanamine

ethylcyclohexane;(E)-3-methylpent-2-ene;2,2,2-trifluoroethanamine (PubChem CID 143682814) has the molecular formula C16H32F3N and a molecular weight of 295.43 g/mol. Its IUPAC name is ethylcyclohexane;(E)-3-methylpent-2-ene;2,2,2-trifluoroethanamine.

Molecular Properties

Compound Nameethylcyclohexane;(E)-3-methylpent-2-ene;2,2,2-trifluoroethanamine
PubChem CID143682814
Molecular FormulaC16H32F3N
Molecular Weight295.43 g/mol
Exact Mass295.25
IUPAC Nameethylcyclohexane;(E)-3-methylpent-2-ene;2,2,2-trifluoroethanamine
SMILESC/C=C(\C)CC.CCC1CCCCC1.NCC(F)(F)F
InChIInChI=1S/C8H16.C6H12.C2H4F3N/c1-2-8-6-4-3-5-7-8;1-4-6(3)5-2;3-2(4,5)1-6/h8H,2-7H2,1H3;4H,5H2,1-3H3;1,6H2/b;6-4+;
InChIKeyBHCQQFTYHOLROC-HWWUXOKASA-N
XLogP5.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethylcyclohexane;(E)-3-methylpent-2-ene;2,2,2-trifluoroethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethylcyclohexane;(E)-3-methylpent-2-ene;2,2,2-trifluoroethanamine?
The IUPAC name of ethylcyclohexane;(E)-3-methylpent-2-ene;2,2,2-trifluoroethanamine (CID 143682814) is ethylcyclohexane;(E)-3-methylpent-2-ene;2,2,2-trifluoroethanamine.
What is the SMILES notation for ethylcyclohexane;(E)-3-methylpent-2-ene;2,2,2-trifluoroethanamine?
The canonical SMILES for ethylcyclohexane;(E)-3-methylpent-2-ene;2,2,2-trifluoroethanamine is C/C=C(\C)CC.CCC1CCCCC1.NCC(F)(F)F.
What is the InChIKey of ethylcyclohexane;(E)-3-methylpent-2-ene;2,2,2-trifluoroethanamine?
The InChIKey is BHCQQFTYHOLROC-HWWUXOKASA-N. The full InChI is InChI=1S/C8H16.C6H12.C2H4F3N/c1-2-8-6-4-3-5-7-8;1-4-6(3)5-2;3-2(4,5)1-6/h8H,2-7H2,1H3;4H,5H2,1-3H3;1,6H2/b;6-4+;.
What are the key properties of ethylcyclohexane;(E)-3-methylpent-2-ene;2,2,2-trifluoroethanamine?
ethylcyclohexane;(E)-3-methylpent-2-ene;2,2,2-trifluoroethanamine has a molecular weight of 295.43 g/mol, XLogP of 5.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylcyclohexane;(E)-3-methylpent-2-ene;2,2,2-trifluoroethanamine is sourced from PubChem (CID 143682814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).