N-[(E)-[(Z)-1,1-difluoropent-3-en-2-ylidene]amino]-1-iodomethanamine

C6H9F2IN2 — CID 172959955

IUPACN-[(E)-[(Z)-1,1-difluoropent-3-en-2-ylidene]amino]-1-iodomethanamine
SMILESC/C=C\C(=N/NCI)C(F)F
InChIInChI=1S/C6H9F2IN2/c1-2-3-5(6(7)8)11-10-4-9/h2-3,6,10H,4H2,1H3/b3-2-,11-5+
InChIKeyNYKKOHCYHBSPRP-OKBMCRLZSA-N
MW274.05 g/mol
LogP2.17
Rot. Bonds4

About N-[(E)-[(Z)-1,1-difluoropent-3-en-2-ylidene]amino]-1-iodomethanamine

N-[(E)-[(Z)-1,1-difluoropent-3-en-2-ylidene]amino]-1-iodomethanamine (PubChem CID 172959955) has the molecular formula C6H9F2IN2 and a molecular weight of 274.05 g/mol. Its IUPAC name is N-[(E)-[(Z)-1,1-difluoropent-3-en-2-ylidene]amino]-1-iodomethanamine.

Molecular Properties

Compound NameN-[(E)-[(Z)-1,1-difluoropent-3-en-2-ylidene]amino]-1-iodomethanamine
PubChem CID172959955
Molecular FormulaC6H9F2IN2
Molecular Weight274.05 g/mol
Exact Mass273.98
IUPAC NameN-[(E)-[(Z)-1,1-difluoropent-3-en-2-ylidene]amino]-1-iodomethanamine
SMILESC/C=C\C(=N/NCI)C(F)F
InChIInChI=1S/C6H9F2IN2/c1-2-3-5(6(7)8)11-10-4-9/h2-3,6,10H,4H2,1H3/b3-2-,11-5+
InChIKeyNYKKOHCYHBSPRP-OKBMCRLZSA-N
XLogP2.17
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.05
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(Z)-1,1-difluoropent-3-en-2-ylidene]amino]-1-iodomethanamine?
The IUPAC name of N-[(E)-[(Z)-1,1-difluoropent-3-en-2-ylidene]amino]-1-iodomethanamine (CID 172959955) is N-[(E)-[(Z)-1,1-difluoropent-3-en-2-ylidene]amino]-1-iodomethanamine.
What is the SMILES notation for N-[(E)-[(Z)-1,1-difluoropent-3-en-2-ylidene]amino]-1-iodomethanamine?
The canonical SMILES for N-[(E)-[(Z)-1,1-difluoropent-3-en-2-ylidene]amino]-1-iodomethanamine is C/C=C\C(=N/NCI)C(F)F.
What is the InChIKey of N-[(E)-[(Z)-1,1-difluoropent-3-en-2-ylidene]amino]-1-iodomethanamine?
The InChIKey is NYKKOHCYHBSPRP-OKBMCRLZSA-N. The full InChI is InChI=1S/C6H9F2IN2/c1-2-3-5(6(7)8)11-10-4-9/h2-3,6,10H,4H2,1H3/b3-2-,11-5+.
What are the key properties of N-[(E)-[(Z)-1,1-difluoropent-3-en-2-ylidene]amino]-1-iodomethanamine?
N-[(E)-[(Z)-1,1-difluoropent-3-en-2-ylidene]amino]-1-iodomethanamine has a molecular weight of 274.05 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(Z)-1,1-difluoropent-3-en-2-ylidene]amino]-1-iodomethanamine is sourced from PubChem (CID 172959955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).