3-ethyl-3-fluoro-1-pentylazetidine

C10H20FN — CID 174282270

IUPAC3-ethyl-3-fluoro-1-pentylazetidine
SMILESCCCCCN1CC(F)(CC)C1
InChIInChI=1S/C10H20FN/c1-3-5-6-7-12-8-10(11,4-2)9-12/h3-9H2,1-2H3
InChIKeyPRRFPVIENOUMJV-UHFFFAOYSA-N
MW173.27 g/mol
LogP2.61
Rot. Bonds5

About 3-ethyl-3-fluoro-1-pentylazetidine

3-ethyl-3-fluoro-1-pentylazetidine (PubChem CID 174282270) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is 3-ethyl-3-fluoro-1-pentylazetidine.

Molecular Properties

Compound Name3-ethyl-3-fluoro-1-pentylazetidine
PubChem CID174282270
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name3-ethyl-3-fluoro-1-pentylazetidine
SMILESCCCCCN1CC(F)(CC)C1
InChIInChI=1S/C10H20FN/c1-3-5-6-7-12-8-10(11,4-2)9-12/h3-9H2,1-2H3
InChIKeyPRRFPVIENOUMJV-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;3-ethyl-3-fluoro-1-[2-(2-methoxyethoxy)ethyl]azetidine
CID 177319476
3,3-difluoro-1-heptylpyrrolidine
CID 174988522
ethane;3-fluoro-3-methyl-1-propylazetidine
CID 153356034
4,4-difluoro-1-heptylpiperidine
CID 138507375
2,8-dipentyl-2,8-diazaspiro[4.5]decane;ethane
CID 156829992
1-octylaziridine
CID 544653
1,3,5-tri(hexacosyl)-1,3,5-triazinane
CID 175381685
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
ethane;1-methyl-4-pentylpiperazine
CID 145099418
ethane;2-ethyl-7-pentyl-2,7-diazaspiro[3.5]nonane
CID 171554465
ethane;1-nonylpiperidine
CID 177011009
3,3-difluoro-1-hexylpiperidin-4-amine
CID 167126957

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-fluoro-1-pentylazetidine?
The IUPAC name of 3-ethyl-3-fluoro-1-pentylazetidine (CID 174282270) is 3-ethyl-3-fluoro-1-pentylazetidine.
What is the SMILES notation for 3-ethyl-3-fluoro-1-pentylazetidine?
The canonical SMILES for 3-ethyl-3-fluoro-1-pentylazetidine is CCCCCN1CC(F)(CC)C1.
What is the InChIKey of 3-ethyl-3-fluoro-1-pentylazetidine?
The InChIKey is PRRFPVIENOUMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-3-5-6-7-12-8-10(11,4-2)9-12/h3-9H2,1-2H3.
What are the key properties of 3-ethyl-3-fluoro-1-pentylazetidine?
3-ethyl-3-fluoro-1-pentylazetidine has a molecular weight of 173.27 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-fluoro-1-pentylazetidine is sourced from PubChem (CID 174282270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).