N-[(Z)-1-chlorobut-2-en-2-yl]methanimidoyl fluoride

C5H7ClFN — CID 118087065

IUPACN-[(Z)-1-chlorobut-2-en-2-yl]methanimidoyl fluoride
SMILESC/C=C(CCl)\N=C\F
InChIInChI=1S/C5H7ClFN/c1-2-5(3-6)8-4-7/h2,4H,3H2,1H3/b5-2-,8-4+
InChIKeyVHJLDDDKHJTDAV-YBKDNAGHSA-N
MW135.57 g/mol
LogP2.13
Rot. Bonds2

About N-[(Z)-1-chlorobut-2-en-2-yl]methanimidoyl fluoride

N-[(Z)-1-chlorobut-2-en-2-yl]methanimidoyl fluoride (PubChem CID 118087065) has the molecular formula C5H7ClFN and a molecular weight of 135.57 g/mol. Its IUPAC name is N-[(Z)-1-chlorobut-2-en-2-yl]methanimidoyl fluoride.

Molecular Properties

Compound NameN-[(Z)-1-chlorobut-2-en-2-yl]methanimidoyl fluoride
PubChem CID118087065
Molecular FormulaC5H7ClFN
Molecular Weight135.57 g/mol
Exact Mass135.03
IUPAC NameN-[(Z)-1-chlorobut-2-en-2-yl]methanimidoyl fluoride
SMILESC/C=C(CCl)\N=C\F
InChIInChI=1S/C5H7ClFN/c1-2-5(3-6)8-4-7/h2,4H,3H2,1H3/b5-2-,8-4+
InChIKeyVHJLDDDKHJTDAV-YBKDNAGHSA-N
XLogP2.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.57
LogP ≤ 52.13
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-chlorobut-2-en-2-yl]methanimidoyl fluoride?
The IUPAC name of N-[(Z)-1-chlorobut-2-en-2-yl]methanimidoyl fluoride (CID 118087065) is N-[(Z)-1-chlorobut-2-en-2-yl]methanimidoyl fluoride.
What is the SMILES notation for N-[(Z)-1-chlorobut-2-en-2-yl]methanimidoyl fluoride?
The canonical SMILES for N-[(Z)-1-chlorobut-2-en-2-yl]methanimidoyl fluoride is C/C=C(CCl)\N=C\F.
What is the InChIKey of N-[(Z)-1-chlorobut-2-en-2-yl]methanimidoyl fluoride?
The InChIKey is VHJLDDDKHJTDAV-YBKDNAGHSA-N. The full InChI is InChI=1S/C5H7ClFN/c1-2-5(3-6)8-4-7/h2,4H,3H2,1H3/b5-2-,8-4+.
What are the key properties of N-[(Z)-1-chlorobut-2-en-2-yl]methanimidoyl fluoride?
N-[(Z)-1-chlorobut-2-en-2-yl]methanimidoyl fluoride has a molecular weight of 135.57 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-chlorobut-2-en-2-yl]methanimidoyl fluoride is sourced from PubChem (CID 118087065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).