3-cyclopropyl-3-fluoro-1-propan-2-ylazetidine

C9H16FN — CID 59412168

IUPAC3-cyclopropyl-3-fluoro-1-propan-2-ylazetidine
SMILESCC(C)N1CC(F)(C2CC2)C1
InChIInChI=1S/C9H16FN/c1-7(2)11-5-9(10,6-11)8-3-4-8/h7-8H,3-6H2,1-2H3
InChIKeyOFMWSFWJPYMOEH-UHFFFAOYSA-N
MW157.23 g/mol
LogP1.83
Rot. Bonds2

About 3-cyclopropyl-3-fluoro-1-propan-2-ylazetidine

3-cyclopropyl-3-fluoro-1-propan-2-ylazetidine (PubChem CID 59412168) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 3-cyclopropyl-3-fluoro-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-cyclopropyl-3-fluoro-1-propan-2-ylazetidine
PubChem CID59412168
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name3-cyclopropyl-3-fluoro-1-propan-2-ylazetidine
SMILESCC(C)N1CC(F)(C2CC2)C1
InChIInChI=1S/C9H16FN/c1-7(2)11-5-9(10,6-11)8-3-4-8/h7-8H,3-6H2,1-2H3
InChIKeyOFMWSFWJPYMOEH-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Cyclopropyl-3-fluoro-1-methylazetidine
CID 68166375
1-Butan-2-yl-3-cyclopropyl-3-fluoroazetidine
CID 68166629
1-(1-Fluoropropan-2-yl)-3-propan-2-ylazetidine
CID 89425128
3-Fluoro-1-(4-methylpentyl)azetidine
CID 118000458
(2S)-1,2-di(propan-2-yl)-2-(trifluoromethyl)azetidine
CID 122451367
3-Fluoro-1-(5-methylhexan-3-yl)azetidine
CID 123908598
1-Ethyl-3-fluoro-3-(2-methylpropyl)azetidine
CID 134505357
3-Fluoro-1,3-di(propan-2-yl)azetidine
CID 135165437
1-(1-Fluoropropan-2-yl)-3-pentan-2-ylazetidine
CID 139394488
(3R)-3-fluoro-1-methyl-2-(2-methylpropyl)azetidine
CID 146183905
3-(4-Fluorobutyl)-1-propan-2-ylazetidine
CID 147653908
1-Ethyl-3-fluoro-3-(3-methylbutan-2-yl)azetidine
CID 155455838

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-fluoro-1-propan-2-ylazetidine?
The IUPAC name of 3-cyclopropyl-3-fluoro-1-propan-2-ylazetidine (CID 59412168) is 3-cyclopropyl-3-fluoro-1-propan-2-ylazetidine.
What is the SMILES notation for 3-cyclopropyl-3-fluoro-1-propan-2-ylazetidine?
The canonical SMILES for 3-cyclopropyl-3-fluoro-1-propan-2-ylazetidine is CC(C)N1CC(F)(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-3-fluoro-1-propan-2-ylazetidine?
The InChIKey is OFMWSFWJPYMOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-7(2)11-5-9(10,6-11)8-3-4-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-cyclopropyl-3-fluoro-1-propan-2-ylazetidine?
3-cyclopropyl-3-fluoro-1-propan-2-ylazetidine has a molecular weight of 157.23 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-fluoro-1-propan-2-ylazetidine is sourced from PubChem (CID 59412168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).