4-fluoro-2-(3-fluoropyrrolidin-3-yl)-N-methylpenta-2,4-dien-1-imine

C10H14F2N2 — CID 91386627

IUPAC4-fluoro-2-(3-fluoropyrrolidin-3-yl)-N-methylpenta-2,4-dien-1-imine
SMILESC=C(F)C=C(/C=N/C)C1(F)CCNC1
InChIInChI=1S/C10H14F2N2/c1-8(11)5-9(6-13-2)10(12)3-4-14-7-10/h5-6,14H,1,3-4,7H2,2H3/b9-5?,13-6+
InChIKeyNAKWUDVLDNMXJR-VGMRYCJYSA-N
MW200.23 g/mol
LogP1.80
Rot. Bonds3

About 4-fluoro-2-(3-fluoropyrrolidin-3-yl)-N-methylpenta-2,4-dien-1-imine

4-fluoro-2-(3-fluoropyrrolidin-3-yl)-N-methylpenta-2,4-dien-1-imine (PubChem CID 91386627) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 4-fluoro-2-(3-fluoropyrrolidin-3-yl)-N-methylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name4-fluoro-2-(3-fluoropyrrolidin-3-yl)-N-methylpenta-2,4-dien-1-imine
PubChem CID91386627
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name4-fluoro-2-(3-fluoropyrrolidin-3-yl)-N-methylpenta-2,4-dien-1-imine
SMILESC=C(F)C=C(/C=N/C)C1(F)CCNC1
InChIInChI=1S/C10H14F2N2/c1-8(11)5-9(6-13-2)10(12)3-4-14-7-10/h5-6,14H,1,3-4,7H2,2H3/b9-5?,13-6+
InChIKeyNAKWUDVLDNMXJR-VGMRYCJYSA-N
XLogP1.80
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(3-fluoropyrrolidin-3-yl)-N-methylpenta-2,4-dien-1-imine?
The IUPAC name of 4-fluoro-2-(3-fluoropyrrolidin-3-yl)-N-methylpenta-2,4-dien-1-imine (CID 91386627) is 4-fluoro-2-(3-fluoropyrrolidin-3-yl)-N-methylpenta-2,4-dien-1-imine.
What is the SMILES notation for 4-fluoro-2-(3-fluoropyrrolidin-3-yl)-N-methylpenta-2,4-dien-1-imine?
The canonical SMILES for 4-fluoro-2-(3-fluoropyrrolidin-3-yl)-N-methylpenta-2,4-dien-1-imine is C=C(F)C=C(/C=N/C)C1(F)CCNC1.
What is the InChIKey of 4-fluoro-2-(3-fluoropyrrolidin-3-yl)-N-methylpenta-2,4-dien-1-imine?
The InChIKey is NAKWUDVLDNMXJR-VGMRYCJYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-8(11)5-9(6-13-2)10(12)3-4-14-7-10/h5-6,14H,1,3-4,7H2,2H3/b9-5?,13-6+.
What are the key properties of 4-fluoro-2-(3-fluoropyrrolidin-3-yl)-N-methylpenta-2,4-dien-1-imine?
4-fluoro-2-(3-fluoropyrrolidin-3-yl)-N-methylpenta-2,4-dien-1-imine has a molecular weight of 200.23 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(3-fluoropyrrolidin-3-yl)-N-methylpenta-2,4-dien-1-imine is sourced from PubChem (CID 91386627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).