N-[(Z)-3-iodo-2-methylpent-1-enyl]methanimidoyl fluoride

C7H11FIN — CID 129194110

IUPACN-[(Z)-3-iodo-2-methylpent-1-enyl]methanimidoyl fluoride
SMILESCCC(I)/C(C)=C\N=C\F
InChIInChI=1S/C7H11FIN/c1-3-7(9)6(2)4-10-5-8/h4-5,7H,3H2,1-2H3/b6-4-,10-5+
InChIKeyRORRWYNLEOCUKI-KNVSICBPSA-N
MW255.07 g/mol
LogP3.10
Rot. Bonds3

About N-[(Z)-3-iodo-2-methylpent-1-enyl]methanimidoyl fluoride

N-[(Z)-3-iodo-2-methylpent-1-enyl]methanimidoyl fluoride (PubChem CID 129194110) has the molecular formula C7H11FIN and a molecular weight of 255.07 g/mol. Its IUPAC name is N-[(Z)-3-iodo-2-methylpent-1-enyl]methanimidoyl fluoride.

Molecular Properties

Compound NameN-[(Z)-3-iodo-2-methylpent-1-enyl]methanimidoyl fluoride
PubChem CID129194110
Molecular FormulaC7H11FIN
Molecular Weight255.07 g/mol
Exact Mass254.99
IUPAC NameN-[(Z)-3-iodo-2-methylpent-1-enyl]methanimidoyl fluoride
SMILESCCC(I)/C(C)=C\N=C\F
InChIInChI=1S/C7H11FIN/c1-3-7(9)6(2)4-10-5-8/h4-5,7H,3H2,1-2H3/b6-4-,10-5+
InChIKeyRORRWYNLEOCUKI-KNVSICBPSA-N
XLogP3.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

N-[(E)-2-methylbut-1-enyl]methanimidoyl fluoride
CID 89513791
N-[(1E,3Z)-3-fluoro-4-iodo-2-methylbuta-1,3-dienyl]methanimine
CID 126556867
N-[(E)-3-fluoro-2-methylbut-1-enyl]methanimine
CID 130279947
4-fluoro-4-iodo-5-methyl-3H-pyridine
CID 149871301
N-[(E)-2-fluoro-3-methylidenepent-1-enyl]methanimine
CID 163369917
N-[(Z)-2-methylpent-1-enyl]methanimine
CID 118201327
N-[(E)-2-methylpent-1-enyl]methanimine
CID 142044769
fluoromethane;N-[(E)-2-methylpent-1-enyl]methanimine
CID 172621764

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-iodo-2-methylpent-1-enyl]methanimidoyl fluoride?
The IUPAC name of N-[(Z)-3-iodo-2-methylpent-1-enyl]methanimidoyl fluoride (CID 129194110) is N-[(Z)-3-iodo-2-methylpent-1-enyl]methanimidoyl fluoride.
What is the SMILES notation for N-[(Z)-3-iodo-2-methylpent-1-enyl]methanimidoyl fluoride?
The canonical SMILES for N-[(Z)-3-iodo-2-methylpent-1-enyl]methanimidoyl fluoride is CCC(I)/C(C)=C\N=C\F.
What is the InChIKey of N-[(Z)-3-iodo-2-methylpent-1-enyl]methanimidoyl fluoride?
The InChIKey is RORRWYNLEOCUKI-KNVSICBPSA-N. The full InChI is InChI=1S/C7H11FIN/c1-3-7(9)6(2)4-10-5-8/h4-5,7H,3H2,1-2H3/b6-4-,10-5+.
What are the key properties of N-[(Z)-3-iodo-2-methylpent-1-enyl]methanimidoyl fluoride?
N-[(Z)-3-iodo-2-methylpent-1-enyl]methanimidoyl fluoride has a molecular weight of 255.07 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-iodo-2-methylpent-1-enyl]methanimidoyl fluoride is sourced from PubChem (CID 129194110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).