fluoromethane;1-(1-fluoroprop-2-enyl)pyrrolidine

C8H15F2N — CID 145322972

IUPACfluoromethane;1-(1-fluoroprop-2-enyl)pyrrolidine
SMILESC=CC(F)N1CCCC1.CF
InChIInChI=1S/C7H12FN.CH3F/c1-2-7(8)9-5-3-4-6-9;1-2/h2,7H,1,3-6H2;1H3
InChIKeyGVSIWYWCXGYNII-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.15
Rot. Bonds2

About fluoromethane;1-(1-fluoroprop-2-enyl)pyrrolidine

fluoromethane;1-(1-fluoroprop-2-enyl)pyrrolidine (PubChem CID 145322972) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is fluoromethane;1-(1-fluoroprop-2-enyl)pyrrolidine.

Molecular Properties

Compound Namefluoromethane;1-(1-fluoroprop-2-enyl)pyrrolidine
PubChem CID145322972
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Namefluoromethane;1-(1-fluoroprop-2-enyl)pyrrolidine
SMILESC=CC(F)N1CCCC1.CF
InChIInChI=1S/C7H12FN.CH3F/c1-2-7(8)9-5-3-4-6-9;1-2/h2,7H,1,3-6H2;1H3
InChIKeyGVSIWYWCXGYNII-UHFFFAOYSA-N
XLogP2.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoromethane;1-(1-fluoroprop-2-enyl)pyrrolidine?
The IUPAC name of fluoromethane;1-(1-fluoroprop-2-enyl)pyrrolidine (CID 145322972) is fluoromethane;1-(1-fluoroprop-2-enyl)pyrrolidine.
What is the SMILES notation for fluoromethane;1-(1-fluoroprop-2-enyl)pyrrolidine?
The canonical SMILES for fluoromethane;1-(1-fluoroprop-2-enyl)pyrrolidine is C=CC(F)N1CCCC1.CF.
What is the InChIKey of fluoromethane;1-(1-fluoroprop-2-enyl)pyrrolidine?
The InChIKey is GVSIWYWCXGYNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN.CH3F/c1-2-7(8)9-5-3-4-6-9;1-2/h2,7H,1,3-6H2;1H3.
What are the key properties of fluoromethane;1-(1-fluoroprop-2-enyl)pyrrolidine?
fluoromethane;1-(1-fluoroprop-2-enyl)pyrrolidine has a molecular weight of 163.21 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;1-(1-fluoroprop-2-enyl)pyrrolidine is sourced from PubChem (CID 145322972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).