5,7,7,7-tetrafluoro-6-methylhepta-3,5-dien-2-amine

C8H11F4N — CID 123723449

IUPAC5,7,7,7-tetrafluoro-6-methylhepta-3,5-dien-2-amine
SMILESCC(=C(F)C=CC(C)N)C(F)(F)F
InChIInChI=1S/C8H11F4N/c1-5(13)3-4-7(9)6(2)8(10,11)12/h3-5H,13H2,1-2H3
InChIKeyPOZIWTRXJIDJIL-UHFFFAOYSA-N
MW197.17 g/mol
LogP2.70
Rot. Bonds2

About 5,7,7,7-tetrafluoro-6-methylhepta-3,5-dien-2-amine

5,7,7,7-tetrafluoro-6-methylhepta-3,5-dien-2-amine (PubChem CID 123723449) has the molecular formula C8H11F4N and a molecular weight of 197.17 g/mol. Its IUPAC name is 5,7,7,7-tetrafluoro-6-methylhepta-3,5-dien-2-amine.

Molecular Properties

Compound Name5,7,7,7-tetrafluoro-6-methylhepta-3,5-dien-2-amine
PubChem CID123723449
Molecular FormulaC8H11F4N
Molecular Weight197.17 g/mol
Exact Mass197.08
IUPAC Name5,7,7,7-tetrafluoro-6-methylhepta-3,5-dien-2-amine
SMILESCC(=C(F)C=CC(C)N)C(F)(F)F
InChIInChI=1S/C8H11F4N/c1-5(13)3-4-7(9)6(2)8(10,11)12/h3-5H,13H2,1-2H3
InChIKeyPOZIWTRXJIDJIL-UHFFFAOYSA-N
XLogP2.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.17
LogP ≤ 52.70
H-Bond Donors ≤ 51
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 5,7,7,7-tetrafluoro-6-methylhepta-3,5-dien-2-amine?
The IUPAC name of 5,7,7,7-tetrafluoro-6-methylhepta-3,5-dien-2-amine (CID 123723449) is 5,7,7,7-tetrafluoro-6-methylhepta-3,5-dien-2-amine.
What is the SMILES notation for 5,7,7,7-tetrafluoro-6-methylhepta-3,5-dien-2-amine?
The canonical SMILES for 5,7,7,7-tetrafluoro-6-methylhepta-3,5-dien-2-amine is CC(=C(F)C=CC(C)N)C(F)(F)F.
What is the InChIKey of 5,7,7,7-tetrafluoro-6-methylhepta-3,5-dien-2-amine?
The InChIKey is POZIWTRXJIDJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4N/c1-5(13)3-4-7(9)6(2)8(10,11)12/h3-5H,13H2,1-2H3.
What are the key properties of 5,7,7,7-tetrafluoro-6-methylhepta-3,5-dien-2-amine?
5,7,7,7-tetrafluoro-6-methylhepta-3,5-dien-2-amine has a molecular weight of 197.17 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,7,7-tetrafluoro-6-methylhepta-3,5-dien-2-amine is sourced from PubChem (CID 123723449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).