4-(fluoromethyl)-5-[(Z)-3-fluoroprop-1-enyl]-1,1,3-trimethyl-2,3-dihydropyrrol-1-ium

C11H18F2N+ — CID 163998090

IUPAC4-(fluoromethyl)-5-[(Z)-3-fluoroprop-1-enyl]-1,1,3-trimethyl-2,3-dihydropyrrol-1-ium
SMILESCC1C[N+](C)(C)C(/C=C\CF)=C1CF
InChIInChI=1S/C11H18F2N/c1-9-8-14(2,3)11(5-4-6-12)10(9)7-13/h4-5,9H,6-8H2,1-3H3/q+1/b5-4-
InChIKeyFNHPYNRPXGWFCF-PLNGDYQASA-N
MW202.27 g/mol
LogP2.46
Rot. Bonds3

About 4-(fluoromethyl)-5-[(Z)-3-fluoroprop-1-enyl]-1,1,3-trimethyl-2,3-dihydropyrrol-1-ium

4-(fluoromethyl)-5-[(Z)-3-fluoroprop-1-enyl]-1,1,3-trimethyl-2,3-dihydropyrrol-1-ium (PubChem CID 163998090) has the molecular formula C11H18F2N+ and a molecular weight of 202.27 g/mol. Its IUPAC name is 4-(fluoromethyl)-5-[(Z)-3-fluoroprop-1-enyl]-1,1,3-trimethyl-2,3-dihydropyrrol-1-ium.

Molecular Properties

Compound Name4-(fluoromethyl)-5-[(Z)-3-fluoroprop-1-enyl]-1,1,3-trimethyl-2,3-dihydropyrrol-1-ium
PubChem CID163998090
Molecular FormulaC11H18F2N+
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Name4-(fluoromethyl)-5-[(Z)-3-fluoroprop-1-enyl]-1,1,3-trimethyl-2,3-dihydropyrrol-1-ium
SMILESCC1C[N+](C)(C)C(/C=C\CF)=C1CF
InChIInChI=1S/C11H18F2N/c1-9-8-14(2,3)11(5-4-6-12)10(9)7-13/h4-5,9H,6-8H2,1-3H3/q+1/b5-4-
InChIKeyFNHPYNRPXGWFCF-PLNGDYQASA-N
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-5-[(Z)-3-fluoroprop-1-enyl]-1,1,3-trimethyl-2,3-dihydropyrrol-1-ium?
The IUPAC name of 4-(fluoromethyl)-5-[(Z)-3-fluoroprop-1-enyl]-1,1,3-trimethyl-2,3-dihydropyrrol-1-ium (CID 163998090) is 4-(fluoromethyl)-5-[(Z)-3-fluoroprop-1-enyl]-1,1,3-trimethyl-2,3-dihydropyrrol-1-ium.
What is the SMILES notation for 4-(fluoromethyl)-5-[(Z)-3-fluoroprop-1-enyl]-1,1,3-trimethyl-2,3-dihydropyrrol-1-ium?
The canonical SMILES for 4-(fluoromethyl)-5-[(Z)-3-fluoroprop-1-enyl]-1,1,3-trimethyl-2,3-dihydropyrrol-1-ium is CC1C[N+](C)(C)C(/C=C\CF)=C1CF.
What is the InChIKey of 4-(fluoromethyl)-5-[(Z)-3-fluoroprop-1-enyl]-1,1,3-trimethyl-2,3-dihydropyrrol-1-ium?
The InChIKey is FNHPYNRPXGWFCF-PLNGDYQASA-N. The full InChI is InChI=1S/C11H18F2N/c1-9-8-14(2,3)11(5-4-6-12)10(9)7-13/h4-5,9H,6-8H2,1-3H3/q+1/b5-4-.
What are the key properties of 4-(fluoromethyl)-5-[(Z)-3-fluoroprop-1-enyl]-1,1,3-trimethyl-2,3-dihydropyrrol-1-ium?
4-(fluoromethyl)-5-[(Z)-3-fluoroprop-1-enyl]-1,1,3-trimethyl-2,3-dihydropyrrol-1-ium has a molecular weight of 202.27 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-5-[(Z)-3-fluoroprop-1-enyl]-1,1,3-trimethyl-2,3-dihydropyrrol-1-ium is sourced from PubChem (CID 163998090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).