ethane;(2E,4E)-N-ethyl-6,6,6-trifluoro-N,5-dimethylhexa-2,4-dien-2-amine

C16H34F3N — CID 144539785

IUPACethane;(2E,4E)-N-ethyl-6,6,6-trifluoro-N,5-dimethylhexa-2,4-dien-2-amine
SMILESCC.CC.CC.CCN(C)/C(C)=C/C=C(\C)C(F)(F)F
InChIInChI=1S/C10H16F3N.3C2H6/c1-5-14(4)9(3)7-6-8(2)10(11,12)13;3*1-2/h6-7H,5H2,1-4H3;3*1-2H3/b8-6+,9-7+;;;
InChIKeyHGUOKPQSOCNDOU-JNSKKQATSA-N
MW297.45 g/mol
LogP6.43
Rot. Bonds3

About ethane;(2E,4E)-N-ethyl-6,6,6-trifluoro-N,5-dimethylhexa-2,4-dien-2-amine

ethane;(2E,4E)-N-ethyl-6,6,6-trifluoro-N,5-dimethylhexa-2,4-dien-2-amine (PubChem CID 144539785) has the molecular formula C16H34F3N and a molecular weight of 297.45 g/mol. Its IUPAC name is ethane;(2E,4E)-N-ethyl-6,6,6-trifluoro-N,5-dimethylhexa-2,4-dien-2-amine.

Molecular Properties

Compound Nameethane;(2E,4E)-N-ethyl-6,6,6-trifluoro-N,5-dimethylhexa-2,4-dien-2-amine
PubChem CID144539785
Molecular FormulaC16H34F3N
Molecular Weight297.45 g/mol
Exact Mass297.26
IUPAC Nameethane;(2E,4E)-N-ethyl-6,6,6-trifluoro-N,5-dimethylhexa-2,4-dien-2-amine
SMILESCC.CC.CC.CCN(C)/C(C)=C/C=C(\C)C(F)(F)F
InChIInChI=1S/C10H16F3N.3C2H6/c1-5-14(4)9(3)7-6-8(2)10(11,12)13;3*1-2/h6-7H,5H2,1-4H3;3*1-2H3/b8-6+,9-7+;;;
InChIKeyHGUOKPQSOCNDOU-JNSKKQATSA-N
XLogP6.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.45
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4E)-N-ethyl-6,6,6-trifluoro-N,5-dimethylhexa-2,4-dien-2-amine?
The IUPAC name of ethane;(2E,4E)-N-ethyl-6,6,6-trifluoro-N,5-dimethylhexa-2,4-dien-2-amine (CID 144539785) is ethane;(2E,4E)-N-ethyl-6,6,6-trifluoro-N,5-dimethylhexa-2,4-dien-2-amine.
What is the SMILES notation for ethane;(2E,4E)-N-ethyl-6,6,6-trifluoro-N,5-dimethylhexa-2,4-dien-2-amine?
The canonical SMILES for ethane;(2E,4E)-N-ethyl-6,6,6-trifluoro-N,5-dimethylhexa-2,4-dien-2-amine is CC.CC.CC.CCN(C)/C(C)=C/C=C(\C)C(F)(F)F.
What is the InChIKey of ethane;(2E,4E)-N-ethyl-6,6,6-trifluoro-N,5-dimethylhexa-2,4-dien-2-amine?
The InChIKey is HGUOKPQSOCNDOU-JNSKKQATSA-N. The full InChI is InChI=1S/C10H16F3N.3C2H6/c1-5-14(4)9(3)7-6-8(2)10(11,12)13;3*1-2/h6-7H,5H2,1-4H3;3*1-2H3/b8-6+,9-7+;;;.
What are the key properties of ethane;(2E,4E)-N-ethyl-6,6,6-trifluoro-N,5-dimethylhexa-2,4-dien-2-amine?
ethane;(2E,4E)-N-ethyl-6,6,6-trifluoro-N,5-dimethylhexa-2,4-dien-2-amine has a molecular weight of 297.45 g/mol, XLogP of 6.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,4E)-N-ethyl-6,6,6-trifluoro-N,5-dimethylhexa-2,4-dien-2-amine is sourced from PubChem (CID 144539785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).