1,1,1-trifluoro-N-methylhex-5-en-3-amine

C7H12F3N — CID 61392638

IUPAC1,1,1-trifluoro-N-methylhex-5-en-3-amine
SMILESC=CCC(CC(F)(F)F)NC
InChIInChI=1S/C7H12F3N/c1-3-4-6(11-2)5-7(8,9)10/h3,6,11H,1,4-5H2,2H3
InChIKeyLIUIDXRESGPCTC-UHFFFAOYSA-N
MW167.17 g/mol
LogP2.10
Rot. Bonds4

About 1,1,1-trifluoro-N-methylhex-5-en-3-amine

1,1,1-trifluoro-N-methylhex-5-en-3-amine (PubChem CID 61392638) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methylhex-5-en-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methylhex-5-en-3-amine
PubChem CID61392638
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name1,1,1-trifluoro-N-methylhex-5-en-3-amine
SMILESC=CCC(CC(F)(F)F)NC
InChIInChI=1S/C7H12F3N/c1-3-4-6(11-2)5-7(8,9)10/h3,6,11H,1,4-5H2,2H3
InChIKeyLIUIDXRESGPCTC-UHFFFAOYSA-N
XLogP2.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.10
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 1,1,1-trifluoro-N-methylhex-5-en-3-amine?
The IUPAC name of 1,1,1-trifluoro-N-methylhex-5-en-3-amine (CID 61392638) is 1,1,1-trifluoro-N-methylhex-5-en-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-methylhex-5-en-3-amine?
The canonical SMILES for 1,1,1-trifluoro-N-methylhex-5-en-3-amine is C=CCC(CC(F)(F)F)NC.
What is the InChIKey of 1,1,1-trifluoro-N-methylhex-5-en-3-amine?
The InChIKey is LIUIDXRESGPCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c1-3-4-6(11-2)5-7(8,9)10/h3,6,11H,1,4-5H2,2H3.
What are the key properties of 1,1,1-trifluoro-N-methylhex-5-en-3-amine?
1,1,1-trifluoro-N-methylhex-5-en-3-amine has a molecular weight of 167.17 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-methylhex-5-en-3-amine is sourced from PubChem (CID 61392638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).