2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidoyl fluoride

C7H10FN — CID 143443057

IUPAC2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidoyl fluoride
SMILESC=C(C)/C(F)=N/C=C\C
InChIInChI=1S/C7H10FN/c1-4-5-9-7(8)6(2)3/h4-5H,2H2,1,3H3/b5-4-,9-7-
InChIKeyXQYHAZVPXKTPLH-PHSHQRSZSA-N
MW127.16 g/mol
LogP2.46
Rot. Bonds2

About 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidoyl fluoride

2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidoyl fluoride (PubChem CID 143443057) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidoyl fluoride.

Molecular Properties

Compound Name2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidoyl fluoride
PubChem CID143443057
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidoyl fluoride
SMILESC=C(C)/C(F)=N/C=C\C
InChIInChI=1S/C7H10FN/c1-4-5-9-7(8)6(2)3/h4-5H,2H2,1,3H3/b5-4-,9-7-
InChIKeyXQYHAZVPXKTPLH-PHSHQRSZSA-N
XLogP2.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidoyl fluoride?
The IUPAC name of 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidoyl fluoride (CID 143443057) is 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidoyl fluoride.
What is the SMILES notation for 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidoyl fluoride?
The canonical SMILES for 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidoyl fluoride is C=C(C)/C(F)=N/C=C\C.
What is the InChIKey of 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidoyl fluoride?
The InChIKey is XQYHAZVPXKTPLH-PHSHQRSZSA-N. The full InChI is InChI=1S/C7H10FN/c1-4-5-9-7(8)6(2)3/h4-5H,2H2,1,3H3/b5-4-,9-7-.
What are the key properties of 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidoyl fluoride?
2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidoyl fluoride has a molecular weight of 127.16 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidoyl fluoride is sourced from PubChem (CID 143443057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).