1-[(1-fluorocyclopropyl)methyl]-2,4-dimethylazetidine

C9H16FN — CID 131019339

IUPAC1-[(1-fluorocyclopropyl)methyl]-2,4-dimethylazetidine
SMILESCC1CC(C)N1CC1(F)CC1
InChIInChI=1S/C9H16FN/c1-7-5-8(2)11(7)6-9(10)3-4-9/h7-8H,3-6H2,1-2H3
InChIKeyAANAJLMHHPAADL-UHFFFAOYSA-N
MW157.23 g/mol
LogP1.97
Rot. Bonds2

About 1-[(1-fluorocyclopropyl)methyl]-2,4-dimethylazetidine

1-[(1-fluorocyclopropyl)methyl]-2,4-dimethylazetidine (PubChem CID 131019339) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 1-[(1-fluorocyclopropyl)methyl]-2,4-dimethylazetidine.

Molecular Properties

Compound Name1-[(1-fluorocyclopropyl)methyl]-2,4-dimethylazetidine
PubChem CID131019339
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name1-[(1-fluorocyclopropyl)methyl]-2,4-dimethylazetidine
SMILESCC1CC(C)N1CC1(F)CC1
InChIInChI=1S/C9H16FN/c1-7-5-8(2)11(7)6-9(10)3-4-9/h7-8H,3-6H2,1-2H3
InChIKeyAANAJLMHHPAADL-UHFFFAOYSA-N
XLogP1.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-fluorocyclopropyl)methyl]-2,4-dimethylazetidine?
The IUPAC name of 1-[(1-fluorocyclopropyl)methyl]-2,4-dimethylazetidine (CID 131019339) is 1-[(1-fluorocyclopropyl)methyl]-2,4-dimethylazetidine.
What is the SMILES notation for 1-[(1-fluorocyclopropyl)methyl]-2,4-dimethylazetidine?
The canonical SMILES for 1-[(1-fluorocyclopropyl)methyl]-2,4-dimethylazetidine is CC1CC(C)N1CC1(F)CC1.
What is the InChIKey of 1-[(1-fluorocyclopropyl)methyl]-2,4-dimethylazetidine?
The InChIKey is AANAJLMHHPAADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-7-5-8(2)11(7)6-9(10)3-4-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-[(1-fluorocyclopropyl)methyl]-2,4-dimethylazetidine?
1-[(1-fluorocyclopropyl)methyl]-2,4-dimethylazetidine has a molecular weight of 157.23 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-fluorocyclopropyl)methyl]-2,4-dimethylazetidine is sourced from PubChem (CID 131019339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).