(Z)-1-fluoro-4-methoxy-N-methylpent-3-en-2-imine

C7H12FNO — CID 88941554

IUPAC(Z)-1-fluoro-4-methoxy-N-methylpent-3-en-2-imine
SMILESC/N=C(/C=C(/C)OC)CF
InChIInChI=1S/C7H12FNO/c1-6(10-3)4-7(5-8)9-2/h4H,5H2,1-3H3/b6-4-,9-7-
InChIKeyJWROGYIBRPWBMK-PJPBHMPJSA-N
MW145.18 g/mol
LogP1.58
Rot. Bonds3

About (Z)-1-fluoro-4-methoxy-N-methylpent-3-en-2-imine

(Z)-1-fluoro-4-methoxy-N-methylpent-3-en-2-imine (PubChem CID 88941554) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is (Z)-1-fluoro-4-methoxy-N-methylpent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-1-fluoro-4-methoxy-N-methylpent-3-en-2-imine
PubChem CID88941554
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name(Z)-1-fluoro-4-methoxy-N-methylpent-3-en-2-imine
SMILESC/N=C(/C=C(/C)OC)CF
InChIInChI=1S/C7H12FNO/c1-6(10-3)4-7(5-8)9-2/h4H,5H2,1-3H3/b6-4-,9-7-
InChIKeyJWROGYIBRPWBMK-PJPBHMPJSA-N
XLogP1.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-fluoro-4-methoxy-N-methylpent-3-en-2-imine?
The IUPAC name of (Z)-1-fluoro-4-methoxy-N-methylpent-3-en-2-imine (CID 88941554) is (Z)-1-fluoro-4-methoxy-N-methylpent-3-en-2-imine.
What is the SMILES notation for (Z)-1-fluoro-4-methoxy-N-methylpent-3-en-2-imine?
The canonical SMILES for (Z)-1-fluoro-4-methoxy-N-methylpent-3-en-2-imine is C/N=C(/C=C(/C)OC)CF.
What is the InChIKey of (Z)-1-fluoro-4-methoxy-N-methylpent-3-en-2-imine?
The InChIKey is JWROGYIBRPWBMK-PJPBHMPJSA-N. The full InChI is InChI=1S/C7H12FNO/c1-6(10-3)4-7(5-8)9-2/h4H,5H2,1-3H3/b6-4-,9-7-.
What are the key properties of (Z)-1-fluoro-4-methoxy-N-methylpent-3-en-2-imine?
(Z)-1-fluoro-4-methoxy-N-methylpent-3-en-2-imine has a molecular weight of 145.18 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-fluoro-4-methoxy-N-methylpent-3-en-2-imine is sourced from PubChem (CID 88941554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).