4-fluoro-2-(2-fluorophenyl)-N-(3-methylidenehex-1-en-2-yl)-3,4-dihydro-2H-pyrrol-5-amine

C17H20F2N2 — CID 175613338

IUPAC4-fluoro-2-(2-fluorophenyl)-N-(3-methylidenehex-1-en-2-yl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESC=C(CCC)C(=C)NC1=NC(c2ccccc2F)CC1F
InChIInChI=1S/C17H20F2N2/c1-4-7-11(2)12(3)20-17-15(19)10-16(21-17)13-8-5-6-9-14(13)18/h5-6,8-9,15-16H,2-4,7,10H2,1H3,(H,20,21)
InChIKeyAZYSOTCCGDICEK-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.47
Rot. Bonds5

About 4-fluoro-2-(2-fluorophenyl)-N-(3-methylidenehex-1-en-2-yl)-3,4-dihydro-2H-pyrrol-5-amine

4-fluoro-2-(2-fluorophenyl)-N-(3-methylidenehex-1-en-2-yl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 175613338) has the molecular formula C17H20F2N2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-fluoro-2-(2-fluorophenyl)-N-(3-methylidenehex-1-en-2-yl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound Name4-fluoro-2-(2-fluorophenyl)-N-(3-methylidenehex-1-en-2-yl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID175613338
Molecular FormulaC17H20F2N2
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-fluoro-2-(2-fluorophenyl)-N-(3-methylidenehex-1-en-2-yl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESC=C(CCC)C(=C)NC1=NC(c2ccccc2F)CC1F
InChIInChI=1S/C17H20F2N2/c1-4-7-11(2)12(3)20-17-15(19)10-16(21-17)13-8-5-6-9-14(13)18/h5-6,8-9,15-16H,2-4,7,10H2,1H3,(H,20,21)
InChIKeyAZYSOTCCGDICEK-UHFFFAOYSA-N
XLogP4.47
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-(2-fluorophenyl)-N-(3-methylidenehex-1-en-2-yl)-3,4-dihydro-2H-pyrrol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-fluorophenyl)-N-(3-methylidenehex-1-en-2-yl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of 4-fluoro-2-(2-fluorophenyl)-N-(3-methylidenehex-1-en-2-yl)-3,4-dihydro-2H-pyrrol-5-amine (CID 175613338) is 4-fluoro-2-(2-fluorophenyl)-N-(3-methylidenehex-1-en-2-yl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for 4-fluoro-2-(2-fluorophenyl)-N-(3-methylidenehex-1-en-2-yl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for 4-fluoro-2-(2-fluorophenyl)-N-(3-methylidenehex-1-en-2-yl)-3,4-dihydro-2H-pyrrol-5-amine is C=C(CCC)C(=C)NC1=NC(c2ccccc2F)CC1F.
What is the InChIKey of 4-fluoro-2-(2-fluorophenyl)-N-(3-methylidenehex-1-en-2-yl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is AZYSOTCCGDICEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2/c1-4-7-11(2)12(3)20-17-15(19)10-16(21-17)13-8-5-6-9-14(13)18/h5-6,8-9,15-16H,2-4,7,10H2,1H3,(H,20,21).
What are the key properties of 4-fluoro-2-(2-fluorophenyl)-N-(3-methylidenehex-1-en-2-yl)-3,4-dihydro-2H-pyrrol-5-amine?
4-fluoro-2-(2-fluorophenyl)-N-(3-methylidenehex-1-en-2-yl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 290.36 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-fluorophenyl)-N-(3-methylidenehex-1-en-2-yl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 175613338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).