(Z)-3-fluoro-4-iodo-2-methyliminopent-3-en-1-amine

C6H10FIN2 — CID 167170110

IUPAC(Z)-3-fluoro-4-iodo-2-methyliminopent-3-en-1-amine
SMILESC/N=C(CN)/C(F)=C(\C)I
InChIInChI=1S/C6H10FIN2/c1-4(8)6(7)5(3-9)10-2/h3,9H2,1-2H3/b6-4-,10-5+
InChIKeyOOZAIVPZKFJFAO-KNVSICBPSA-N
MW256.06 g/mol
LogP1.65
Rot. Bonds2

About (Z)-3-fluoro-4-iodo-2-methyliminopent-3-en-1-amine

(Z)-3-fluoro-4-iodo-2-methyliminopent-3-en-1-amine (PubChem CID 167170110) has the molecular formula C6H10FIN2 and a molecular weight of 256.06 g/mol. Its IUPAC name is (Z)-3-fluoro-4-iodo-2-methyliminopent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-3-fluoro-4-iodo-2-methyliminopent-3-en-1-amine
PubChem CID167170110
Molecular FormulaC6H10FIN2
Molecular Weight256.06 g/mol
Exact Mass255.99
IUPAC Name(Z)-3-fluoro-4-iodo-2-methyliminopent-3-en-1-amine
SMILESC/N=C(CN)/C(F)=C(\C)I
InChIInChI=1S/C6H10FIN2/c1-4(8)6(7)5(3-9)10-2/h3,9H2,1-2H3/b6-4-,10-5+
InChIKeyOOZAIVPZKFJFAO-KNVSICBPSA-N
XLogP1.65
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.06
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-4-iodo-2-methyliminopent-3-en-1-amine?
The IUPAC name of (Z)-3-fluoro-4-iodo-2-methyliminopent-3-en-1-amine (CID 167170110) is (Z)-3-fluoro-4-iodo-2-methyliminopent-3-en-1-amine.
What is the SMILES notation for (Z)-3-fluoro-4-iodo-2-methyliminopent-3-en-1-amine?
The canonical SMILES for (Z)-3-fluoro-4-iodo-2-methyliminopent-3-en-1-amine is C/N=C(CN)/C(F)=C(\C)I.
What is the InChIKey of (Z)-3-fluoro-4-iodo-2-methyliminopent-3-en-1-amine?
The InChIKey is OOZAIVPZKFJFAO-KNVSICBPSA-N. The full InChI is InChI=1S/C6H10FIN2/c1-4(8)6(7)5(3-9)10-2/h3,9H2,1-2H3/b6-4-,10-5+.
What are the key properties of (Z)-3-fluoro-4-iodo-2-methyliminopent-3-en-1-amine?
(Z)-3-fluoro-4-iodo-2-methyliminopent-3-en-1-amine has a molecular weight of 256.06 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-4-iodo-2-methyliminopent-3-en-1-amine is sourced from PubChem (CID 167170110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).