[3-(chloromethyl)azetidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone

C9H13ClFNO — CID 131198171

IUPAC[3-(chloromethyl)azetidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CC(CCl)C2)CC1F
InChIInChI=1S/C9H13ClFNO/c1-9(2-7(9)11)8(13)12-4-6(3-10)5-12/h6-7H,2-5H2,1H3
InChIKeyRPXNFAYZWAVCKA-UHFFFAOYSA-N
MW205.66 g/mol
LogP1.43
Rot. Bonds2

About [3-(chloromethyl)azetidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone

[3-(chloromethyl)azetidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone (PubChem CID 131198171) has the molecular formula C9H13ClFNO and a molecular weight of 205.66 g/mol. Its IUPAC name is [3-(chloromethyl)azetidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[3-(chloromethyl)azetidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone
PubChem CID131198171
Molecular FormulaC9H13ClFNO
Molecular Weight205.66 g/mol
Exact Mass205.07
IUPAC Name[3-(chloromethyl)azetidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CC(CCl)C2)CC1F
InChIInChI=1S/C9H13ClFNO/c1-9(2-7(9)11)8(13)12-4-6(3-10)5-12/h6-7H,2-5H2,1H3
InChIKeyRPXNFAYZWAVCKA-UHFFFAOYSA-N
XLogP1.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.66
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [3-(chloromethyl)azetidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone?
The IUPAC name of [3-(chloromethyl)azetidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone (CID 131198171) is [3-(chloromethyl)azetidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone.
What is the SMILES notation for [3-(chloromethyl)azetidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone?
The canonical SMILES for [3-(chloromethyl)azetidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone is CC1(C(=O)N2CC(CCl)C2)CC1F.
What is the InChIKey of [3-(chloromethyl)azetidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone?
The InChIKey is RPXNFAYZWAVCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClFNO/c1-9(2-7(9)11)8(13)12-4-6(3-10)5-12/h6-7H,2-5H2,1H3.
What are the key properties of [3-(chloromethyl)azetidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone?
[3-(chloromethyl)azetidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone has a molecular weight of 205.66 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(chloromethyl)azetidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone is sourced from PubChem (CID 131198171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).