methyl (2S,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoropyrrolidine-2-carboxylate

C10H15ClFNO2 — CID 172577349

IUPACmethyl (2S,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoropyrrolidine-2-carboxylate
SMILESC=C(CCl)C[C@@]1(C(=O)OC)C[C@@H](F)CN1
InChIInChI=1S/C10H15ClFNO2/c1-7(5-11)3-10(9(14)15-2)4-8(12)6-13-10/h8,13H,1,3-6H2,2H3/t8-,10+/m1/s1
InChIKeyUIDVBMXPTDLRSB-SCZZXKLOSA-N
MW235.69 g/mol
LogP1.41
Rot. Bonds4

About methyl (2S,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoropyrrolidine-2-carboxylate

methyl (2S,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoropyrrolidine-2-carboxylate (PubChem CID 172577349) has the molecular formula C10H15ClFNO2 and a molecular weight of 235.69 g/mol. Its IUPAC name is methyl (2S,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoropyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoropyrrolidine-2-carboxylate
PubChem CID172577349
Molecular FormulaC10H15ClFNO2
Molecular Weight235.69 g/mol
Exact Mass235.08
IUPAC Namemethyl (2S,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoropyrrolidine-2-carboxylate
SMILESC=C(CCl)C[C@@]1(C(=O)OC)C[C@@H](F)CN1
InChIInChI=1S/C10H15ClFNO2/c1-7(5-11)3-10(9(14)15-2)4-8(12)6-13-10/h8,13H,1,3-6H2,2H3/t8-,10+/m1/s1
InChIKeyUIDVBMXPTDLRSB-SCZZXKLOSA-N
XLogP1.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-(chloromethyl)prop-2-enyl]-4-fluoropyrrolidine-2-carboxylate
CID 166095872
methyl (2R,4S)-2-(3-chloropropyl)-4-fluoropyrrolidine-2-carboxylate
CID 165124295
methyl (1R,5R)-3-[2-(chloromethyl)prop-2-enyl]-2-azabicyclo[3.1.0]hexane-3-carboxylate
CID 166095885
methyl (1S,5S)-3-[2-(chloromethyl)prop-2-enyl]-2-azabicyclo[3.1.0]hexane-3-carboxylate
CID 166095781
methyl (2R,4R)-4-fluoro-2-methylpyrrolidine-2-carboxylate
CID 125448955
(2R,4S)-2-(3-chloropropyl)-4-fluoropyrrolidine-2-carboxylic acid
CID 175793603
methyl (2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(3-chloro-2-oxopropyl)pyrrolidine-2-carboxylate
CID 169041374
(2S,4S)-4-fluoro-2-(3-iodopropyl)pyrrolidine-2-carboxylic acid
CID 174165253
methyl (2R)-2-(2-chloroethyl)-4,4-difluoropyrrolidine-2-carboxylate
CID 170992175
methyl 2-(3-chloropropyl)-4-(difluoromethylidene)pyrrolidine-2-carboxylate
CID 166095886
1-O-tert-butyl 2-O-methyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(chloromethyl)prop-2-enyl]pyrrolidine-1,2-dicarboxylate
CID 171792786
methyl (1S,5S)-3-(3-chloropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxylate
CID 167494800

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoropyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoropyrrolidine-2-carboxylate (CID 172577349) is methyl (2S,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoropyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoropyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoropyrrolidine-2-carboxylate is C=C(CCl)C[C@@]1(C(=O)OC)C[C@@H](F)CN1.
What is the InChIKey of methyl (2S,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoropyrrolidine-2-carboxylate?
The InChIKey is UIDVBMXPTDLRSB-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H15ClFNO2/c1-7(5-11)3-10(9(14)15-2)4-8(12)6-13-10/h8,13H,1,3-6H2,2H3/t8-,10+/m1/s1.
What are the key properties of methyl (2S,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoropyrrolidine-2-carboxylate?
methyl (2S,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoropyrrolidine-2-carboxylate has a molecular weight of 235.69 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoropyrrolidine-2-carboxylate is sourced from PubChem (CID 172577349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).