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

C7H10FN — CID 89211348

IUPAC(1Z,3Z)-5-fluoro-4-methylhexa-1,3,5-trien-1-amine
SMILESC=C(F)/C(C)=C\C=C/N
InChIInChI=1S/C7H10FN/c1-6(7(2)8)4-3-5-9/h3-5H,2,9H2,1H3/b5-3-,6-4-
InChIKeyHVACMNQPLJXYIW-GLIMQPGKSA-N
MW127.16 g/mol
LogP1.89
Rot. Bonds2

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

(1Z,3Z)-5-fluoro-4-methylhexa-1,3,5-trien-1-amine (PubChem CID 89211348) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (1Z,3Z)-5-fluoro-4-methylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-5-fluoro-4-methylhexa-1,3,5-trien-1-amine
PubChem CID89211348
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(1Z,3Z)-5-fluoro-4-methylhexa-1,3,5-trien-1-amine
SMILESC=C(F)/C(C)=C\C=C/N
InChIInChI=1S/C7H10FN/c1-6(7(2)8)4-3-5-9/h3-5H,2,9H2,1H3/b5-3-,6-4-
InChIKeyHVACMNQPLJXYIW-GLIMQPGKSA-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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Related Compounds

Isoprene amine
CID 55285509
1-Amino-3-methylbuta-1,3-diene
CID 57682486
(4-Methyl)-1,3-pentadien-1-amine
CID 59886133
(1Z)-2-methylbuta-1,3-dien-1-amine
CID 129888072
(1Z,3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 87085214
(1E,3Z)-4-methyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 88063248
(1E,3Z)-1-fluoro-4-methylhexa-1,3,5-trien-1-amine
CID 88558952
(1Z,3Z)-5-fluoro-2-methylhexa-1,3,5-trien-1-amine
CID 88579423
(1E,3Z)-5-methyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 89129506
(1Z,3E)-4-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 89140156
(1E,3Z)-1-fluoro-3-methylpenta-1,3-dien-1-amine
CID 89141319
(1Z,3E)-3-fluorohexa-1,3,5-trien-1-amine
CID 89143644

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-5-fluoro-4-methylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-5-fluoro-4-methylhexa-1,3,5-trien-1-amine (CID 89211348) is (1Z,3Z)-5-fluoro-4-methylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-5-fluoro-4-methylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-5-fluoro-4-methylhexa-1,3,5-trien-1-amine is C=C(F)/C(C)=C\C=C/N.
What is the InChIKey of (1Z,3Z)-5-fluoro-4-methylhexa-1,3,5-trien-1-amine?
The InChIKey is HVACMNQPLJXYIW-GLIMQPGKSA-N. The full InChI is InChI=1S/C7H10FN/c1-6(7(2)8)4-3-5-9/h3-5H,2,9H2,1H3/b5-3-,6-4-.
What are the key properties of (1Z,3Z)-5-fluoro-4-methylhexa-1,3,5-trien-1-amine?
(1Z,3Z)-5-fluoro-4-methylhexa-1,3,5-trien-1-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 (1Z,3Z)-5-fluoro-4-methylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89211348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).