6,6,6-trifluoro-2,5,5-trimethylhex-1-en-3-amine

C9H16F3N — CID 167282072

IUPAC6,6,6-trifluoro-2,5,5-trimethylhex-1-en-3-amine
SMILESC=C(C)C(N)CC(C)(C)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-6(2)7(13)5-8(3,4)9(10,11)12/h7H,1,5,13H2,2-4H3
InChIKeyUMFJQMDRDQGINC-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.87
Rot. Bonds3

About 6,6,6-trifluoro-2,5,5-trimethylhex-1-en-3-amine

6,6,6-trifluoro-2,5,5-trimethylhex-1-en-3-amine (PubChem CID 167282072) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 6,6,6-trifluoro-2,5,5-trimethylhex-1-en-3-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-2,5,5-trimethylhex-1-en-3-amine
PubChem CID167282072
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name6,6,6-trifluoro-2,5,5-trimethylhex-1-en-3-amine
SMILESC=C(C)C(N)CC(C)(C)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-6(2)7(13)5-8(3,4)9(10,11)12/h7H,1,5,13H2,2-4H3
InChIKeyUMFJQMDRDQGINC-UHFFFAOYSA-N
XLogP2.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.87
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 6,6,6-trifluoro-2,5,5-trimethylhex-1-en-3-amine?
The IUPAC name of 6,6,6-trifluoro-2,5,5-trimethylhex-1-en-3-amine (CID 167282072) is 6,6,6-trifluoro-2,5,5-trimethylhex-1-en-3-amine.
What is the SMILES notation for 6,6,6-trifluoro-2,5,5-trimethylhex-1-en-3-amine?
The canonical SMILES for 6,6,6-trifluoro-2,5,5-trimethylhex-1-en-3-amine is C=C(C)C(N)CC(C)(C)C(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-2,5,5-trimethylhex-1-en-3-amine?
The InChIKey is UMFJQMDRDQGINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-6(2)7(13)5-8(3,4)9(10,11)12/h7H,1,5,13H2,2-4H3.
What are the key properties of 6,6,6-trifluoro-2,5,5-trimethylhex-1-en-3-amine?
6,6,6-trifluoro-2,5,5-trimethylhex-1-en-3-amine has a molecular weight of 195.23 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2,5,5-trimethylhex-1-en-3-amine is sourced from PubChem (CID 167282072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).