(3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-amine

C7H10FN — CID 144610893

IUPAC(3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-amine
SMILESC=C/C(N)=C(/F)C(=C)C
InChIInChI=1S/C7H10FN/c1-4-6(9)7(8)5(2)3/h4H,1-2,9H2,3H3/b7-6-
InChIKeyHXVGMIQNGWZBBQ-SREVYHEPSA-N
MW127.16 g/mol
LogP1.89
Rot. Bonds2

About (3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-amine

(3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-amine (PubChem CID 144610893) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-amine
PubChem CID144610893
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-amine
SMILESC=C/C(N)=C(/F)C(=C)C
InChIInChI=1S/C7H10FN/c1-4-6(9)7(8)5(2)3/h4H,1-2,9H2,3H3/b7-6-
InChIKeyHXVGMIQNGWZBBQ-SREVYHEPSA-N
XLogP1.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.89
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 (3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-amine?
The IUPAC name of (3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-amine (CID 144610893) is (3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-amine?
The canonical SMILES for (3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-amine is C=C/C(N)=C(/F)C(=C)C.
What is the InChIKey of (3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-amine?
The InChIKey is HXVGMIQNGWZBBQ-SREVYHEPSA-N. The full InChI is InChI=1S/C7H10FN/c1-4-6(9)7(8)5(2)3/h4H,1-2,9H2,3H3/b7-6-.
What are the key properties of (3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-amine?
(3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-amine has a molecular weight of 127.16 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-amine is sourced from PubChem (CID 144610893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).