3-fluoro-3-propan-2-yl-1-propylazetidine

C9H18FN — CID 163258527

IUPAC3-fluoro-3-propan-2-yl-1-propylazetidine
SMILESCCCN1CC(F)(C(C)C)C1
InChIInChI=1S/C9H18FN/c1-4-5-11-6-9(10,7-11)8(2)3/h8H,4-7H2,1-3H3
InChIKeyAJQGAZSQGCMEAI-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.08
Rot. Bonds3

About 3-fluoro-3-propan-2-yl-1-propylazetidine

3-fluoro-3-propan-2-yl-1-propylazetidine (PubChem CID 163258527) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 3-fluoro-3-propan-2-yl-1-propylazetidine.

Molecular Properties

Compound Name3-fluoro-3-propan-2-yl-1-propylazetidine
PubChem CID163258527
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name3-fluoro-3-propan-2-yl-1-propylazetidine
SMILESCCCN1CC(F)(C(C)C)C1
InChIInChI=1S/C9H18FN/c1-4-5-11-6-9(10,7-11)8(2)3/h8H,4-7H2,1-3H3
InChIKeyAJQGAZSQGCMEAI-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-propan-2-yl-1-propylazetidine?
The IUPAC name of 3-fluoro-3-propan-2-yl-1-propylazetidine (CID 163258527) is 3-fluoro-3-propan-2-yl-1-propylazetidine.
What is the SMILES notation for 3-fluoro-3-propan-2-yl-1-propylazetidine?
The canonical SMILES for 3-fluoro-3-propan-2-yl-1-propylazetidine is CCCN1CC(F)(C(C)C)C1.
What is the InChIKey of 3-fluoro-3-propan-2-yl-1-propylazetidine?
The InChIKey is AJQGAZSQGCMEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-4-5-11-6-9(10,7-11)8(2)3/h8H,4-7H2,1-3H3.
What are the key properties of 3-fluoro-3-propan-2-yl-1-propylazetidine?
3-fluoro-3-propan-2-yl-1-propylazetidine has a molecular weight of 159.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-propan-2-yl-1-propylazetidine is sourced from PubChem (CID 163258527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).