(2R,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoro-1-methylpyrrolidine

C9H15ClFN — CID 175795537

IUPAC(2R,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoro-1-methylpyrrolidine
SMILESC=C(CCl)C[C@@H]1C[C@@H](F)CN1C
InChIInChI=1S/C9H15ClFN/c1-7(5-10)3-9-4-8(11)6-12(9)2/h8-9H,1,3-6H2,2H3/t8-,9-/m1/s1
InChIKeyURLKYXQADPLMJC-RKDXNWHRSA-N
MW191.68 g/mol
LogP2.21
Rot. Bonds3

About (2R,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoro-1-methylpyrrolidine

(2R,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoro-1-methylpyrrolidine (PubChem CID 175795537) has the molecular formula C9H15ClFN and a molecular weight of 191.68 g/mol. Its IUPAC name is (2R,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoro-1-methylpyrrolidine.

Molecular Properties

Compound Name(2R,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoro-1-methylpyrrolidine
PubChem CID175795537
Molecular FormulaC9H15ClFN
Molecular Weight191.68 g/mol
Exact Mass191.09
IUPAC Name(2R,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoro-1-methylpyrrolidine
SMILESC=C(CCl)C[C@@H]1C[C@@H](F)CN1C
InChIInChI=1S/C9H15ClFN/c1-7(5-10)3-9-4-8(11)6-12(9)2/h8-9H,1,3-6H2,2H3/t8-,9-/m1/s1
InChIKeyURLKYXQADPLMJC-RKDXNWHRSA-N
XLogP2.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.68
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoro-1-methylpyrrolidine?
The IUPAC name of (2R,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoro-1-methylpyrrolidine (CID 175795537) is (2R,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoro-1-methylpyrrolidine.
What is the SMILES notation for (2R,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoro-1-methylpyrrolidine?
The canonical SMILES for (2R,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoro-1-methylpyrrolidine is C=C(CCl)C[C@@H]1C[C@@H](F)CN1C.
What is the InChIKey of (2R,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoro-1-methylpyrrolidine?
The InChIKey is URLKYXQADPLMJC-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H15ClFN/c1-7(5-10)3-9-4-8(11)6-12(9)2/h8-9H,1,3-6H2,2H3/t8-,9-/m1/s1.
What are the key properties of (2R,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoro-1-methylpyrrolidine?
(2R,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoro-1-methylpyrrolidine has a molecular weight of 191.68 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoro-1-methylpyrrolidine is sourced from PubChem (CID 175795537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).