1-butyl-3-(fluoromethyl)-2-methylazetidine

C9H18FN — CID 175831017

IUPAC1-butyl-3-(fluoromethyl)-2-methylazetidine
SMILESCCCCN1CC(CF)C1C
InChIInChI=1S/C9H18FN/c1-3-4-5-11-7-9(6-10)8(11)2/h8-9H,3-7H2,1-2H3
InChIKeyGSMDOISBGVTIPG-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.08
Rot. Bonds4

About 1-butyl-3-(fluoromethyl)-2-methylazetidine

1-butyl-3-(fluoromethyl)-2-methylazetidine (PubChem CID 175831017) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 1-butyl-3-(fluoromethyl)-2-methylazetidine.

Molecular Properties

Compound Name1-butyl-3-(fluoromethyl)-2-methylazetidine
PubChem CID175831017
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name1-butyl-3-(fluoromethyl)-2-methylazetidine
SMILESCCCCN1CC(CF)C1C
InChIInChI=1S/C9H18FN/c1-3-4-5-11-7-9(6-10)8(11)2/h8-9H,3-7H2,1-2H3
InChIKeyGSMDOISBGVTIPG-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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(fluoromethyl)-2-methylazetidine?
The IUPAC name of 1-butyl-3-(fluoromethyl)-2-methylazetidine (CID 175831017) is 1-butyl-3-(fluoromethyl)-2-methylazetidine.
What is the SMILES notation for 1-butyl-3-(fluoromethyl)-2-methylazetidine?
The canonical SMILES for 1-butyl-3-(fluoromethyl)-2-methylazetidine is CCCCN1CC(CF)C1C.
What is the InChIKey of 1-butyl-3-(fluoromethyl)-2-methylazetidine?
The InChIKey is GSMDOISBGVTIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-3-4-5-11-7-9(6-10)8(11)2/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-butyl-3-(fluoromethyl)-2-methylazetidine?
1-butyl-3-(fluoromethyl)-2-methylazetidine 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 1-butyl-3-(fluoromethyl)-2-methylazetidine is sourced from PubChem (CID 175831017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).