1-(3-fluoropropyl)-3-(2-methylpropylidene)azetidine

C10H18FN — CID 155265343

IUPAC1-(3-fluoropropyl)-3-(2-methylpropylidene)azetidine
SMILESCC(C)C=C1CN(CCCF)C1
InChIInChI=1S/C10H18FN/c1-9(2)6-10-7-12(8-10)5-3-4-11/h6,9H,3-5,7-8H2,1-2H3
InChIKeyPYOWAZJMRCAOGA-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.24
Rot. Bonds4

About 1-(3-fluoropropyl)-3-(2-methylpropylidene)azetidine

1-(3-fluoropropyl)-3-(2-methylpropylidene)azetidine (PubChem CID 155265343) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-3-(2-methylpropylidene)azetidine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-3-(2-methylpropylidene)azetidine
PubChem CID155265343
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name1-(3-fluoropropyl)-3-(2-methylpropylidene)azetidine
SMILESCC(C)C=C1CN(CCCF)C1
InChIInChI=1S/C10H18FN/c1-9(2)6-10-7-12(8-10)5-3-4-11/h6,9H,3-5,7-8H2,1-2H3
InChIKeyPYOWAZJMRCAOGA-UHFFFAOYSA-N
XLogP2.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 131199791
3-Ethylidene-1-(3-fluoropropyl)azetidine
CID 139336467
3,3-difluoro-1-[(E)-4-methylpent-2-enyl]azetidine
CID 153217769
3-(2,2-Dimethylpropylidene)-1-(3-fluoropropyl)azetidine
CID 155265328
3-(2,2-Dimethylbutylidene)-1-(3-fluoropropyl)azetidine
CID 155265373
3-fluoro-1-[(E)-4-methylpent-2-enyl]azetidine
CID 156287468
3-fluoro-1-[(E)-pent-2-enyl]azetidine
CID 156287797
3,3-difluoro-1-[(E)-5-methyl-4-methylidenehex-2-enyl]azetidine
CID 166698535
1-ethyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine
CID 117205572
5-fluoro-1-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine
CID 130621576
1-(2-fluoroethyl)-3,5-dimethyl-3,6-dihydro-2H-pyridine
CID 130657458
5-fluoro-1-(2-methylidenebutyl)-3,6-dihydro-2H-pyridine
CID 130684600

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-3-(2-methylpropylidene)azetidine?
The IUPAC name of 1-(3-fluoropropyl)-3-(2-methylpropylidene)azetidine (CID 155265343) is 1-(3-fluoropropyl)-3-(2-methylpropylidene)azetidine.
What is the SMILES notation for 1-(3-fluoropropyl)-3-(2-methylpropylidene)azetidine?
The canonical SMILES for 1-(3-fluoropropyl)-3-(2-methylpropylidene)azetidine is CC(C)C=C1CN(CCCF)C1.
What is the InChIKey of 1-(3-fluoropropyl)-3-(2-methylpropylidene)azetidine?
The InChIKey is PYOWAZJMRCAOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-9(2)6-10-7-12(8-10)5-3-4-11/h6,9H,3-5,7-8H2,1-2H3.
What are the key properties of 1-(3-fluoropropyl)-3-(2-methylpropylidene)azetidine?
1-(3-fluoropropyl)-3-(2-methylpropylidene)azetidine has a molecular weight of 171.26 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-3-(2-methylpropylidene)azetidine is sourced from PubChem (CID 155265343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).