(2E,4E)-6-fluoro-5-methylhexa-2,4-dien-2-amine

C7H12FN — CID 126548715

IUPAC(2E,4E)-6-fluoro-5-methylhexa-2,4-dien-2-amine
SMILESC/C(N)=C\C=C(/C)CF
InChIInChI=1S/C7H12FN/c1-6(5-8)3-4-7(2)9/h3-4H,5,9H2,1-2H3/b6-3+,7-4+
InChIKeyYYMYEQHMBPLGBD-XOKGJFMYSA-N
MW129.18 g/mol
LogP1.76
Rot. Bonds2

About (2E,4E)-6-fluoro-5-methylhexa-2,4-dien-2-amine

(2E,4E)-6-fluoro-5-methylhexa-2,4-dien-2-amine (PubChem CID 126548715) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (2E,4E)-6-fluoro-5-methylhexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4E)-6-fluoro-5-methylhexa-2,4-dien-2-amine
PubChem CID126548715
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(2E,4E)-6-fluoro-5-methylhexa-2,4-dien-2-amine
SMILESC/C(N)=C\C=C(/C)CF
InChIInChI=1S/C7H12FN/c1-6(5-8)3-4-7(2)9/h3-4H,5,9H2,1-2H3/b6-3+,7-4+
InChIKeyYYMYEQHMBPLGBD-XOKGJFMYSA-N
XLogP1.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5E)-5-fluorohepta-1,3,5-trien-2-amine
CID 88936391
(2Z,4Z)-5-fluoropenta-2,4-dien-2-amine
CID 89029579
(2E,4E)-5,6-difluorohexa-2,4-dien-2-amine
CID 89073850
(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-amine
CID 89074088
(2E,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-amine
CID 89153748
(2E,4E)-5-fluorohepta-2,4,6-trien-2-amine
CID 89259791
(2E,4Z,6E)-7-fluorohepta-2,4,6-trien-3-amine
CID 89336329
(2E,4E)-5-fluorohexa-2,4-dien-2-amine
CID 89336345
(3Z,5E)-5-fluoro-N-iodohepta-1,3,5-trien-2-amine
CID 89416505
(1E)-1-fluoro-4-methylpenta-1,3-dien-1-amine
CID 89419773
(3E,5E)-6-fluorohepta-1,3,5-trien-3-amine
CID 90222218
(1Z,3Z)-1-fluoro-4-methylhexa-1,3,5-trien-2-amine
CID 90436396

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-6-fluoro-5-methylhexa-2,4-dien-2-amine?
The IUPAC name of (2E,4E)-6-fluoro-5-methylhexa-2,4-dien-2-amine (CID 126548715) is (2E,4E)-6-fluoro-5-methylhexa-2,4-dien-2-amine.
What is the SMILES notation for (2E,4E)-6-fluoro-5-methylhexa-2,4-dien-2-amine?
The canonical SMILES for (2E,4E)-6-fluoro-5-methylhexa-2,4-dien-2-amine is C/C(N)=C\C=C(/C)CF.
What is the InChIKey of (2E,4E)-6-fluoro-5-methylhexa-2,4-dien-2-amine?
The InChIKey is YYMYEQHMBPLGBD-XOKGJFMYSA-N. The full InChI is InChI=1S/C7H12FN/c1-6(5-8)3-4-7(2)9/h3-4H,5,9H2,1-2H3/b6-3+,7-4+.
What are the key properties of (2E,4E)-6-fluoro-5-methylhexa-2,4-dien-2-amine?
(2E,4E)-6-fluoro-5-methylhexa-2,4-dien-2-amine has a molecular weight of 129.18 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6-fluoro-5-methylhexa-2,4-dien-2-amine is sourced from PubChem (CID 126548715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).