(1Z,3E)-5-fluoro-4-iodo-2-methylhexa-1,3,5-trien-1-amine

C7H9FIN — CID 88579425

IUPAC(1Z,3E)-5-fluoro-4-iodo-2-methylhexa-1,3,5-trien-1-amine
SMILESC=C(F)/C(I)=C\C(C)=C/N
InChIInChI=1S/C7H9FIN/c1-5(4-10)3-7(9)6(2)8/h3-4H,2,10H2,1H3/b5-4-,7-3+
InChIKeySKVYOKNFCFGCMQ-SBYNAHCQSA-N
MW253.06 g/mol
LogP2.65
Rot. Bonds2

About (1Z,3E)-5-fluoro-4-iodo-2-methylhexa-1,3,5-trien-1-amine

(1Z,3E)-5-fluoro-4-iodo-2-methylhexa-1,3,5-trien-1-amine (PubChem CID 88579425) has the molecular formula C7H9FIN and a molecular weight of 253.06 g/mol. Its IUPAC name is (1Z,3E)-5-fluoro-4-iodo-2-methylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-5-fluoro-4-iodo-2-methylhexa-1,3,5-trien-1-amine
PubChem CID88579425
Molecular FormulaC7H9FIN
Molecular Weight253.06 g/mol
Exact Mass252.98
IUPAC Name(1Z,3E)-5-fluoro-4-iodo-2-methylhexa-1,3,5-trien-1-amine
SMILESC=C(F)/C(I)=C\C(C)=C/N
InChIInChI=1S/C7H9FIN/c1-5(4-10)3-7(9)6(2)8/h3-4H,2,10H2,1H3/b5-4-,7-3+
InChIKeySKVYOKNFCFGCMQ-SBYNAHCQSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.06
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-5-fluoro-4-iodo-2-methylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3E)-5-fluoro-4-iodo-2-methylhexa-1,3,5-trien-1-amine (CID 88579425) is (1Z,3E)-5-fluoro-4-iodo-2-methylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3E)-5-fluoro-4-iodo-2-methylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3E)-5-fluoro-4-iodo-2-methylhexa-1,3,5-trien-1-amine is C=C(F)/C(I)=C\C(C)=C/N.
What is the InChIKey of (1Z,3E)-5-fluoro-4-iodo-2-methylhexa-1,3,5-trien-1-amine?
The InChIKey is SKVYOKNFCFGCMQ-SBYNAHCQSA-N. The full InChI is InChI=1S/C7H9FIN/c1-5(4-10)3-7(9)6(2)8/h3-4H,2,10H2,1H3/b5-4-,7-3+.
What are the key properties of (1Z,3E)-5-fluoro-4-iodo-2-methylhexa-1,3,5-trien-1-amine?
(1Z,3E)-5-fluoro-4-iodo-2-methylhexa-1,3,5-trien-1-amine has a molecular weight of 253.06 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-5-fluoro-4-iodo-2-methylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 88579425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).