1-but-1-en-2-yl-3-fluoroazetidine

C7H12FN — CID 146292685

IUPAC1-but-1-en-2-yl-3-fluoroazetidine
SMILESC=C(CC)N1CC(F)C1
InChIInChI=1S/C7H12FN/c1-3-6(2)9-4-7(8)5-9/h7H,2-5H2,1H3
InChIKeyBJWVHCKEDQAZFO-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.56
Rot. Bonds2

About 1-but-1-en-2-yl-3-fluoroazetidine

1-but-1-en-2-yl-3-fluoroazetidine (PubChem CID 146292685) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 1-but-1-en-2-yl-3-fluoroazetidine.

Molecular Properties

Compound Name1-but-1-en-2-yl-3-fluoroazetidine
PubChem CID146292685
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name1-but-1-en-2-yl-3-fluoroazetidine
SMILESC=C(CC)N1CC(F)C1
InChIInChI=1S/C7H12FN/c1-3-6(2)9-4-7(8)5-9/h7H,2-5H2,1H3
InChIKeyBJWVHCKEDQAZFO-UHFFFAOYSA-N
XLogP1.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Fluoro-1-pent-2-en-3-ylazetidine
CID 123368064
N-(2-fluoropropyl)-N-methylbut-1-en-2-amine
CID 144557678
N-(1-fluoroethenyl)-N-methylbut-1-en-2-amine
CID 144946153
3,3-Difluoro-1-prop-1-en-2-ylazetidine
CID 146292708
3,3-Difluoro-1-(3-methylbut-1-en-2-yl)azetidine
CID 146330698
2-(2-Fluoroethyl)-1-prop-1-en-2-ylazirine
CID 146538205
3-Fluoro-1-prop-1-en-2-ylazetidine
CID 166960449
3-Fluoro-1-(3-methylbut-1-en-2-yl)azetidine
CID 170117416
1-But-1-en-2-yl-3,3-difluoroazetidine
CID 142320682
1-Prop-1-en-2-ylazetidine
CID 15413086
2-Methylidene-1-propan-2-ylazetidine
CID 58417774
2-Ethenylidene-1-methylazetidine
CID 58939351

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-3-fluoroazetidine?
The IUPAC name of 1-but-1-en-2-yl-3-fluoroazetidine (CID 146292685) is 1-but-1-en-2-yl-3-fluoroazetidine.
What is the SMILES notation for 1-but-1-en-2-yl-3-fluoroazetidine?
The canonical SMILES for 1-but-1-en-2-yl-3-fluoroazetidine is C=C(CC)N1CC(F)C1.
What is the InChIKey of 1-but-1-en-2-yl-3-fluoroazetidine?
The InChIKey is BJWVHCKEDQAZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-3-6(2)9-4-7(8)5-9/h7H,2-5H2,1H3.
What are the key properties of 1-but-1-en-2-yl-3-fluoroazetidine?
1-but-1-en-2-yl-3-fluoroazetidine has a molecular weight of 129.18 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-3-fluoroazetidine is sourced from PubChem (CID 146292685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).