3,3-difluoro-1-prop-1-en-2-ylazetidine

C6H9F2N — CID 146292708

IUPAC3,3-difluoro-1-prop-1-en-2-ylazetidine
SMILESC=C(C)N1CC(F)(F)C1
InChIInChI=1S/C6H9F2N/c1-5(2)9-3-6(7,8)4-9/h1,3-4H2,2H3
InChIKeyWZJXXQOMIZZNJH-UHFFFAOYSA-N
MW133.14 g/mol
LogP1.47
Rot. Bonds1

About 3,3-difluoro-1-prop-1-en-2-ylazetidine

3,3-difluoro-1-prop-1-en-2-ylazetidine (PubChem CID 146292708) has the molecular formula C6H9F2N and a molecular weight of 133.14 g/mol. Its IUPAC name is 3,3-difluoro-1-prop-1-en-2-ylazetidine.

Molecular Properties

Compound Name3,3-difluoro-1-prop-1-en-2-ylazetidine
PubChem CID146292708
Molecular FormulaC6H9F2N
Molecular Weight133.14 g/mol
Exact Mass133.07
IUPAC Name3,3-difluoro-1-prop-1-en-2-ylazetidine
SMILESC=C(C)N1CC(F)(F)C1
InChIInChI=1S/C6H9F2N/c1-5(2)9-3-6(7,8)4-9/h1,3-4H2,2H3
InChIKeyWZJXXQOMIZZNJH-UHFFFAOYSA-N
XLogP1.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.14
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ethene, 1-(diethylamino)-1-(trifluoromethyl)-
CID 592255
1-[(E)-but-2-en-2-yl]-3,3-difluoroazetidine
CID 144929283
N-(2-fluoroethyl)-N-(fluoromethyl)prop-1-en-2-amine
CID 146292682
1-But-1-en-2-yl-3-fluoroazetidine
CID 146292685
3,3-Difluoro-1-(3-methylbut-1-en-2-yl)azetidine
CID 146330698
3,3-Difluoro-1-prop-1-en-2-ylazetidine;ethane
CID 157033561
N,N-bis(2-fluoroethyl)prop-1-en-2-amine
CID 163258122
N-ethyl-3,3,3-trifluoro-N-prop-1-en-2-ylpropan-1-amine
CID 163422333
3-Fluoro-1-prop-1-en-2-ylazetidine
CID 166960449
1-Buta-2,3-dien-2-yl-3,3-difluoroazetidine
CID 174137280
1-But-1-en-2-yl-3,3-difluoroazetidine
CID 142320682
3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine
CID 177326354

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-prop-1-en-2-ylazetidine?
The IUPAC name of 3,3-difluoro-1-prop-1-en-2-ylazetidine (CID 146292708) is 3,3-difluoro-1-prop-1-en-2-ylazetidine.
What is the SMILES notation for 3,3-difluoro-1-prop-1-en-2-ylazetidine?
The canonical SMILES for 3,3-difluoro-1-prop-1-en-2-ylazetidine is C=C(C)N1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-prop-1-en-2-ylazetidine?
The InChIKey is WZJXXQOMIZZNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N/c1-5(2)9-3-6(7,8)4-9/h1,3-4H2,2H3.
What are the key properties of 3,3-difluoro-1-prop-1-en-2-ylazetidine?
3,3-difluoro-1-prop-1-en-2-ylazetidine has a molecular weight of 133.14 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-prop-1-en-2-ylazetidine is sourced from PubChem (CID 146292708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).