2-[2-(fluoromethyl)prop-2-enyl]-1-(5-methylhex-1-en-2-yl)pyrrolidine

C15H26FN — CID 155418263

IUPAC2-[2-(fluoromethyl)prop-2-enyl]-1-(5-methylhex-1-en-2-yl)pyrrolidine
SMILESC=C(CF)CC1CCCN1C(=C)CCC(C)C
InChIInChI=1S/C15H26FN/c1-12(2)7-8-14(4)17-9-5-6-15(17)10-13(3)11-16/h12,15H,3-11H2,1-2H3
InChIKeyMAWKRGRGYMJTSH-UHFFFAOYSA-N
MW239.38 g/mol
LogP4.32
Rot. Bonds7

About 2-[2-(fluoromethyl)prop-2-enyl]-1-(5-methylhex-1-en-2-yl)pyrrolidine

2-[2-(fluoromethyl)prop-2-enyl]-1-(5-methylhex-1-en-2-yl)pyrrolidine (PubChem CID 155418263) has the molecular formula C15H26FN and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-[2-(fluoromethyl)prop-2-enyl]-1-(5-methylhex-1-en-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-[2-(fluoromethyl)prop-2-enyl]-1-(5-methylhex-1-en-2-yl)pyrrolidine
PubChem CID155418263
Molecular FormulaC15H26FN
Molecular Weight239.38 g/mol
Exact Mass239.20
IUPAC Name2-[2-(fluoromethyl)prop-2-enyl]-1-(5-methylhex-1-en-2-yl)pyrrolidine
SMILESC=C(CF)CC1CCCN1C(=C)CCC(C)C
InChIInChI=1S/C15H26FN/c1-12(2)7-8-14(4)17-9-5-6-15(17)10-13(3)11-16/h12,15H,3-11H2,1-2H3
InChIKeyMAWKRGRGYMJTSH-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoromethyl)prop-2-enyl]-1-(5-methylhex-1-en-2-yl)pyrrolidine?
The IUPAC name of 2-[2-(fluoromethyl)prop-2-enyl]-1-(5-methylhex-1-en-2-yl)pyrrolidine (CID 155418263) is 2-[2-(fluoromethyl)prop-2-enyl]-1-(5-methylhex-1-en-2-yl)pyrrolidine.
What is the SMILES notation for 2-[2-(fluoromethyl)prop-2-enyl]-1-(5-methylhex-1-en-2-yl)pyrrolidine?
The canonical SMILES for 2-[2-(fluoromethyl)prop-2-enyl]-1-(5-methylhex-1-en-2-yl)pyrrolidine is C=C(CF)CC1CCCN1C(=C)CCC(C)C.
What is the InChIKey of 2-[2-(fluoromethyl)prop-2-enyl]-1-(5-methylhex-1-en-2-yl)pyrrolidine?
The InChIKey is MAWKRGRGYMJTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN/c1-12(2)7-8-14(4)17-9-5-6-15(17)10-13(3)11-16/h12,15H,3-11H2,1-2H3.
What are the key properties of 2-[2-(fluoromethyl)prop-2-enyl]-1-(5-methylhex-1-en-2-yl)pyrrolidine?
2-[2-(fluoromethyl)prop-2-enyl]-1-(5-methylhex-1-en-2-yl)pyrrolidine has a molecular weight of 239.38 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoromethyl)prop-2-enyl]-1-(5-methylhex-1-en-2-yl)pyrrolidine is sourced from PubChem (CID 155418263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).