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

C8H12FN — CID 89326035

IUPAC(1Z,3Z)-5-fluoro-3,4-dimethylhexa-1,3,5-trien-1-amine
SMILESC=C(F)/C(C)=C(C)\C=C/N
InChIInChI=1S/C8H12FN/c1-6(4-5-10)7(2)8(3)9/h4-5H,3,10H2,1-2H3/b5-4-,7-6-
InChIKeyICFITANODGYEIF-RZSVFLSASA-N
MW141.19 g/mol
LogP2.28
Rot. Bonds2

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

(1Z,3Z)-5-fluoro-3,4-dimethylhexa-1,3,5-trien-1-amine (PubChem CID 89326035) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (1Z,3Z)-5-fluoro-3,4-dimethylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-5-fluoro-3,4-dimethylhexa-1,3,5-trien-1-amine
PubChem CID89326035
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(1Z,3Z)-5-fluoro-3,4-dimethylhexa-1,3,5-trien-1-amine
SMILESC=C(F)/C(C)=C(C)\C=C/N
InChIInChI=1S/C8H12FN/c1-6(4-5-10)7(2)8(3)9/h4-5H,3,10H2,1-2H3/b5-4-,7-6-
InChIKeyICFITANODGYEIF-RZSVFLSASA-N
XLogP2.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.28
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 (1Z,3Z)-5-fluoro-3,4-dimethylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-5-fluoro-3,4-dimethylhexa-1,3,5-trien-1-amine (CID 89326035) is (1Z,3Z)-5-fluoro-3,4-dimethylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-5-fluoro-3,4-dimethylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-5-fluoro-3,4-dimethylhexa-1,3,5-trien-1-amine is C=C(F)/C(C)=C(C)\C=C/N.
What is the InChIKey of (1Z,3Z)-5-fluoro-3,4-dimethylhexa-1,3,5-trien-1-amine?
The InChIKey is ICFITANODGYEIF-RZSVFLSASA-N. The full InChI is InChI=1S/C8H12FN/c1-6(4-5-10)7(2)8(3)9/h4-5H,3,10H2,1-2H3/b5-4-,7-6-.
What are the key properties of (1Z,3Z)-5-fluoro-3,4-dimethylhexa-1,3,5-trien-1-amine?
(1Z,3Z)-5-fluoro-3,4-dimethylhexa-1,3,5-trien-1-amine has a molecular weight of 141.19 g/mol, XLogP of 2.28, 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-3,4-dimethylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89326035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).