(2Z,4Z)-3-fluoro-2-methylhexa-2,4-dien-1-amine

C7H12FN — CID 139454891

IUPAC(2Z,4Z)-3-fluoro-2-methylhexa-2,4-dien-1-amine
SMILESC/C=C\C(F)=C(/C)CN
InChIInChI=1S/C7H12FN/c1-3-4-7(8)6(2)5-9/h3-4H,5,9H2,1-2H3/b4-3-,7-6-
InChIKeyBGEWLFLTUGBKPX-CWWKMNTPSA-N
MW129.18 g/mol
LogP1.76
Rot. Bonds2

About (2Z,4Z)-3-fluoro-2-methylhexa-2,4-dien-1-amine

(2Z,4Z)-3-fluoro-2-methylhexa-2,4-dien-1-amine (PubChem CID 139454891) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (2Z,4Z)-3-fluoro-2-methylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4Z)-3-fluoro-2-methylhexa-2,4-dien-1-amine
PubChem CID139454891
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(2Z,4Z)-3-fluoro-2-methylhexa-2,4-dien-1-amine
SMILESC/C=C\C(F)=C(/C)CN
InChIInChI=1S/C7H12FN/c1-3-4-7(8)6(2)5-9/h3-4H,5,9H2,1-2H3/b4-3-,7-6-
InChIKeyBGEWLFLTUGBKPX-CWWKMNTPSA-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'}

Analyze (2Z,4Z)-3-fluoro-2-methylhexa-2,4-dien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

4-Fluoro-3-methylbut-2-en-1-amine
CID 76223484
(E)-4-fluoro-2-methylidenehex-3-en-1-amine
CID 88557724
(2E,4Z)-6-fluoro-2-methylhepta-2,4,6-trien-1-amine
CID 88590092
(2E,4E)-5-fluoro-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 89084822
(2Z,4E)-4-fluorohepta-2,4,6-trien-1-amine
CID 89154029
(2E)-3-fluoropenta-2,4-dien-1-amine
CID 89199945
(2E,4Z)-2-(trifluoromethyl)hepta-2,4,6-trien-1-amine
CID 89214880
(1E,3Z)-2-fluoro-3-methylhexa-1,3,5-trien-1-amine
CID 89255885
(2Z,4E)-4-fluorohexa-2,4-dien-1-amine
CID 89259790
(2Z)-3-fluoro-2-methylpenta-2,4-dien-1-amine
CID 89270023
(2Z,4Z)-6-fluorohepta-2,4,6-trien-1-amine
CID 90145838
(2E)-2-ethenyl-4-fluoro-5-methylhexa-2,4-dien-1-amine
CID 118336192

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-3-fluoro-2-methylhexa-2,4-dien-1-amine?
The IUPAC name of (2Z,4Z)-3-fluoro-2-methylhexa-2,4-dien-1-amine (CID 139454891) is (2Z,4Z)-3-fluoro-2-methylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4Z)-3-fluoro-2-methylhexa-2,4-dien-1-amine?
The canonical SMILES for (2Z,4Z)-3-fluoro-2-methylhexa-2,4-dien-1-amine is C/C=C\C(F)=C(/C)CN.
What is the InChIKey of (2Z,4Z)-3-fluoro-2-methylhexa-2,4-dien-1-amine?
The InChIKey is BGEWLFLTUGBKPX-CWWKMNTPSA-N. The full InChI is InChI=1S/C7H12FN/c1-3-4-7(8)6(2)5-9/h3-4H,5,9H2,1-2H3/b4-3-,7-6-.
What are the key properties of (2Z,4Z)-3-fluoro-2-methylhexa-2,4-dien-1-amine?
(2Z,4Z)-3-fluoro-2-methylhexa-2,4-dien-1-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 (2Z,4Z)-3-fluoro-2-methylhexa-2,4-dien-1-amine is sourced from PubChem (CID 139454891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).