(2Z,4Z)-5-fluoro-3-methylhepta-2,4-dien-4-amine

C8H14FN — CID 137390524

IUPAC(2Z,4Z)-5-fluoro-3-methylhepta-2,4-dien-4-amine
SMILESC/C=C(C)\C(N)=C(\F)CC
InChIInChI=1S/C8H14FN/c1-4-6(3)8(10)7(9)5-2/h4H,5,10H2,1-3H3/b6-4-,8-7-
InChIKeyNRLXUBYTGNJNHH-MOIRPGTBSA-N
MW143.20 g/mol
LogP2.50
Rot. Bonds2

About (2Z,4Z)-5-fluoro-3-methylhepta-2,4-dien-4-amine

(2Z,4Z)-5-fluoro-3-methylhepta-2,4-dien-4-amine (PubChem CID 137390524) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is (2Z,4Z)-5-fluoro-3-methylhepta-2,4-dien-4-amine.

Molecular Properties

Compound Name(2Z,4Z)-5-fluoro-3-methylhepta-2,4-dien-4-amine
PubChem CID137390524
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name(2Z,4Z)-5-fluoro-3-methylhepta-2,4-dien-4-amine
SMILESC/C=C(C)\C(N)=C(\F)CC
InChIInChI=1S/C8H14FN/c1-4-6(3)8(10)7(9)5-2/h4H,5,10H2,1-3H3/b6-4-,8-7-
InChIKeyNRLXUBYTGNJNHH-MOIRPGTBSA-N
XLogP2.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4Z)-5-fluoro-3-methylhepta-2,4-dien-4-amine with MolForge

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Launch Full Analysis

Related Compounds

5-Fluoro-6-methylcyclohexa-1,5-dien-1-amine
CID 68217515
2-Fluoro-5-methylcyclohepta-1,3,6-trien-1-amine
CID 68229473
(3E,5Z)-2-fluoro-5-methylhepta-1,3,5-trien-4-amine
CID 88575399
(2E,4E)-2-fluorohepta-2,4-dien-4-amine
CID 88953573
(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073720
(2Z,4E)-5-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine
CID 89140162
(2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine
CID 89153760
(3Z,5Z)-1-fluoro-2,2,5-trimethylocta-3,5,7-trien-3-amine
CID 89170034
(3E,5Z)-4-(difluoromethyl)octa-3,5,7-trien-3-amine
CID 89205392
(2E,4E)-3-fluorohepta-2,4-dien-4-amine
CID 89214767
(3E,5E)-5-fluoro-4-(trifluoromethyl)hepta-1,3,5-trien-2-amine
CID 89214774
(3E,5E)-6-fluoro-5-methylhepta-1,3,5-trien-3-amine
CID 89214934

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-5-fluoro-3-methylhepta-2,4-dien-4-amine?
The IUPAC name of (2Z,4Z)-5-fluoro-3-methylhepta-2,4-dien-4-amine (CID 137390524) is (2Z,4Z)-5-fluoro-3-methylhepta-2,4-dien-4-amine.
What is the SMILES notation for (2Z,4Z)-5-fluoro-3-methylhepta-2,4-dien-4-amine?
The canonical SMILES for (2Z,4Z)-5-fluoro-3-methylhepta-2,4-dien-4-amine is C/C=C(C)\C(N)=C(\F)CC.
What is the InChIKey of (2Z,4Z)-5-fluoro-3-methylhepta-2,4-dien-4-amine?
The InChIKey is NRLXUBYTGNJNHH-MOIRPGTBSA-N. The full InChI is InChI=1S/C8H14FN/c1-4-6(3)8(10)7(9)5-2/h4H,5,10H2,1-3H3/b6-4-,8-7-.
What are the key properties of (2Z,4Z)-5-fluoro-3-methylhepta-2,4-dien-4-amine?
(2Z,4Z)-5-fluoro-3-methylhepta-2,4-dien-4-amine has a molecular weight of 143.20 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-5-fluoro-3-methylhepta-2,4-dien-4-amine is sourced from PubChem (CID 137390524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).