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

C10H21F2N — CID 157033561

IUPAC3,3-difluoro-1-prop-1-en-2-ylazetidine;ethane
SMILESC=C(C)N1CC(F)(F)C1.CC.CC
InChIInChI=1S/C6H9F2N.2C2H6/c1-5(2)9-3-6(7,8)4-9;2*1-2/h1,3-4H2,2H3;2*1-2H3
InChIKeyDVZOPQLNGVCZOJ-UHFFFAOYSA-N
MW193.28 g/mol
LogP3.52
Rot. Bonds1

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

3,3-difluoro-1-prop-1-en-2-ylazetidine;ethane (PubChem CID 157033561) has the molecular formula C10H21F2N and a molecular weight of 193.28 g/mol. Its IUPAC name is 3,3-difluoro-1-prop-1-en-2-ylazetidine;ethane.

Molecular Properties

Compound Name3,3-difluoro-1-prop-1-en-2-ylazetidine;ethane
PubChem CID157033561
Molecular FormulaC10H21F2N
Molecular Weight193.28 g/mol
Exact Mass193.16
IUPAC Name3,3-difluoro-1-prop-1-en-2-ylazetidine;ethane
SMILESC=C(C)N1CC(F)(F)C1.CC.CC
InChIInChI=1S/C6H9F2N.2C2H6/c1-5(2)9-3-6(7,8)4-9;2*1-2/h1,3-4H2,2H3;2*1-2H3
InChIKeyDVZOPQLNGVCZOJ-UHFFFAOYSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-but-2-en-2-yl]-3,3-difluoroazetidine
CID 144929283
3,3-Difluoro-1-prop-1-en-2-ylazetidine
CID 146292708
3,3-Difluoro-1-(3-methylbut-1-en-2-yl)azetidine
CID 146330698
1-(3,3-Dimethylbut-1-en-2-yl)-3,3-difluoroazetidine
CID 154973616
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
3,3-difluoro-N-propan-2-yl-N-prop-1-en-2-ylcyclobutan-1-amine
CID 176924039
3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine;ethane
CID 177326353
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
fluoromethane;N-methyl-N-prop-1-en-2-ylpropan-1-amine
CID 145109371

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-prop-1-en-2-ylazetidine;ethane?
The IUPAC name of 3,3-difluoro-1-prop-1-en-2-ylazetidine;ethane (CID 157033561) is 3,3-difluoro-1-prop-1-en-2-ylazetidine;ethane.
What is the SMILES notation for 3,3-difluoro-1-prop-1-en-2-ylazetidine;ethane?
The canonical SMILES for 3,3-difluoro-1-prop-1-en-2-ylazetidine;ethane is C=C(C)N1CC(F)(F)C1.CC.CC.
What is the InChIKey of 3,3-difluoro-1-prop-1-en-2-ylazetidine;ethane?
The InChIKey is DVZOPQLNGVCZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N.2C2H6/c1-5(2)9-3-6(7,8)4-9;2*1-2/h1,3-4H2,2H3;2*1-2H3.
What are the key properties of 3,3-difluoro-1-prop-1-en-2-ylazetidine;ethane?
3,3-difluoro-1-prop-1-en-2-ylazetidine;ethane has a molecular weight of 193.28 g/mol, XLogP of 3.52, 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;ethane is sourced from PubChem (CID 157033561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).