3-fluoro-1-(4-methylpentyl)azetidine

C9H18FN — CID 118000458

IUPAC3-fluoro-1-(4-methylpentyl)azetidine
SMILESCC(C)CCCN1CC(F)C1
InChIInChI=1S/C9H18FN/c1-8(2)4-3-5-11-6-9(10)7-11/h8-9H,3-7H2,1-2H3
InChIKeyDJIWRWDFXXGTIJ-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.08
Rot. Bonds4

About 3-fluoro-1-(4-methylpentyl)azetidine

3-fluoro-1-(4-methylpentyl)azetidine (PubChem CID 118000458) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 3-fluoro-1-(4-methylpentyl)azetidine.

Molecular Properties

Compound Name3-fluoro-1-(4-methylpentyl)azetidine
PubChem CID118000458
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name3-fluoro-1-(4-methylpentyl)azetidine
SMILESCC(C)CCCN1CC(F)C1
InChIInChI=1S/C9H18FN/c1-8(2)4-3-5-11-6-9(10)7-11/h8-9H,3-7H2,1-2H3
InChIKeyDJIWRWDFXXGTIJ-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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-1-(4-methylpentyl)azetidine?
The IUPAC name of 3-fluoro-1-(4-methylpentyl)azetidine (CID 118000458) is 3-fluoro-1-(4-methylpentyl)azetidine.
What is the SMILES notation for 3-fluoro-1-(4-methylpentyl)azetidine?
The canonical SMILES for 3-fluoro-1-(4-methylpentyl)azetidine is CC(C)CCCN1CC(F)C1.
What is the InChIKey of 3-fluoro-1-(4-methylpentyl)azetidine?
The InChIKey is DJIWRWDFXXGTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-8(2)4-3-5-11-6-9(10)7-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-fluoro-1-(4-methylpentyl)azetidine?
3-fluoro-1-(4-methylpentyl)azetidine has a molecular weight of 159.25 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(4-methylpentyl)azetidine is sourced from PubChem (CID 118000458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).