[2-(chloromethyl)morpholin-4-yl]-(2-fluoro-1-methylcyclopropyl)methanone

C10H15ClFNO2 — CID 130927548

IUPAC[2-(chloromethyl)morpholin-4-yl]-(2-fluoro-1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCOC(CCl)C2)CC1F
InChIInChI=1S/C10H15ClFNO2/c1-10(4-8(10)12)9(14)13-2-3-15-7(5-11)6-13/h7-8H,2-6H2,1H3
InChIKeyUPAVQLZGQBYBKV-UHFFFAOYSA-N
MW235.69 g/mol
LogP1.20
Rot. Bonds2

About [2-(chloromethyl)morpholin-4-yl]-(2-fluoro-1-methylcyclopropyl)methanone

[2-(chloromethyl)morpholin-4-yl]-(2-fluoro-1-methylcyclopropyl)methanone (PubChem CID 130927548) has the molecular formula C10H15ClFNO2 and a molecular weight of 235.69 g/mol. Its IUPAC name is [2-(chloromethyl)morpholin-4-yl]-(2-fluoro-1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)morpholin-4-yl]-(2-fluoro-1-methylcyclopropyl)methanone
PubChem CID130927548
Molecular FormulaC10H15ClFNO2
Molecular Weight235.69 g/mol
Exact Mass235.08
IUPAC Name[2-(chloromethyl)morpholin-4-yl]-(2-fluoro-1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCOC(CCl)C2)CC1F
InChIInChI=1S/C10H15ClFNO2/c1-10(4-8(10)12)9(14)13-2-3-15-7(5-11)6-13/h7-8H,2-6H2,1H3
InChIKeyUPAVQLZGQBYBKV-UHFFFAOYSA-N
XLogP1.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)morpholin-4-yl]-(2-fluoro-1-methylcyclopropyl)methanone?
The IUPAC name of [2-(chloromethyl)morpholin-4-yl]-(2-fluoro-1-methylcyclopropyl)methanone (CID 130927548) is [2-(chloromethyl)morpholin-4-yl]-(2-fluoro-1-methylcyclopropyl)methanone.
What is the SMILES notation for [2-(chloromethyl)morpholin-4-yl]-(2-fluoro-1-methylcyclopropyl)methanone?
The canonical SMILES for [2-(chloromethyl)morpholin-4-yl]-(2-fluoro-1-methylcyclopropyl)methanone is CC1(C(=O)N2CCOC(CCl)C2)CC1F.
What is the InChIKey of [2-(chloromethyl)morpholin-4-yl]-(2-fluoro-1-methylcyclopropyl)methanone?
The InChIKey is UPAVQLZGQBYBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClFNO2/c1-10(4-8(10)12)9(14)13-2-3-15-7(5-11)6-13/h7-8H,2-6H2,1H3.
What are the key properties of [2-(chloromethyl)morpholin-4-yl]-(2-fluoro-1-methylcyclopropyl)methanone?
[2-(chloromethyl)morpholin-4-yl]-(2-fluoro-1-methylcyclopropyl)methanone has a molecular weight of 235.69 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)morpholin-4-yl]-(2-fluoro-1-methylcyclopropyl)methanone is sourced from PubChem (CID 130927548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).