(E)-3-fluoro-4-methyliminopent-2-en-2-amine

C6H11FN2 — CID 156792437

IUPAC(E)-3-fluoro-4-methyliminopent-2-en-2-amine
SMILESC/N=C(C)/C(F)=C(/C)N
InChIInChI=1S/C6H11FN2/c1-4(8)6(7)5(2)9-3/h8H2,1-3H3/b6-4+,9-5+
InChIKeyOCZSNIVVOFNYSF-REZHQCRGSA-N
MW130.17 g/mol
LogP1.24
Rot. Bonds1

About (E)-3-fluoro-4-methyliminopent-2-en-2-amine

(E)-3-fluoro-4-methyliminopent-2-en-2-amine (PubChem CID 156792437) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is (E)-3-fluoro-4-methyliminopent-2-en-2-amine.

Molecular Properties

Compound Name(E)-3-fluoro-4-methyliminopent-2-en-2-amine
PubChem CID156792437
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name(E)-3-fluoro-4-methyliminopent-2-en-2-amine
SMILESC/N=C(C)/C(F)=C(/C)N
InChIInChI=1S/C6H11FN2/c1-4(8)6(7)5(2)9-3/h8H2,1-3H3/b6-4+,9-5+
InChIKeyOCZSNIVVOFNYSF-REZHQCRGSA-N
XLogP1.24
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-4-methyliminopent-2-en-2-amine?
The IUPAC name of (E)-3-fluoro-4-methyliminopent-2-en-2-amine (CID 156792437) is (E)-3-fluoro-4-methyliminopent-2-en-2-amine.
What is the SMILES notation for (E)-3-fluoro-4-methyliminopent-2-en-2-amine?
The canonical SMILES for (E)-3-fluoro-4-methyliminopent-2-en-2-amine is C/N=C(C)/C(F)=C(/C)N.
What is the InChIKey of (E)-3-fluoro-4-methyliminopent-2-en-2-amine?
The InChIKey is OCZSNIVVOFNYSF-REZHQCRGSA-N. The full InChI is InChI=1S/C6H11FN2/c1-4(8)6(7)5(2)9-3/h8H2,1-3H3/b6-4+,9-5+.
What are the key properties of (E)-3-fluoro-4-methyliminopent-2-en-2-amine?
(E)-3-fluoro-4-methyliminopent-2-en-2-amine has a molecular weight of 130.17 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-4-methyliminopent-2-en-2-amine is sourced from PubChem (CID 156792437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).