1-tert-butyl-3-(difluoromethylidene)azetidine

C8H13F2N — CID 167168791

IUPAC1-tert-butyl-3-(difluoromethylidene)azetidine
SMILESCC(C)(C)N1CC(=C(F)F)C1
InChIInChI=1S/C8H13F2N/c1-8(2,3)11-4-6(5-11)7(9)10/h4-5H2,1-3H3
InChIKeyHIEHLMGRLSHHMO-UHFFFAOYSA-N
MW161.19 g/mol
LogP2.25
Rot. Bonds

About 1-tert-butyl-3-(difluoromethylidene)azetidine

1-tert-butyl-3-(difluoromethylidene)azetidine (PubChem CID 167168791) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 1-tert-butyl-3-(difluoromethylidene)azetidine.

Molecular Properties

Compound Name1-tert-butyl-3-(difluoromethylidene)azetidine
PubChem CID167168791
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name1-tert-butyl-3-(difluoromethylidene)azetidine
SMILESCC(C)(C)N1CC(=C(F)F)C1
InChIInChI=1S/C8H13F2N/c1-8(2,3)11-4-6(5-11)7(9)10/h4-5H2,1-3H3
InChIKeyHIEHLMGRLSHHMO-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(difluoromethylidene)azetidine?
The IUPAC name of 1-tert-butyl-3-(difluoromethylidene)azetidine (CID 167168791) is 1-tert-butyl-3-(difluoromethylidene)azetidine.
What is the SMILES notation for 1-tert-butyl-3-(difluoromethylidene)azetidine?
The canonical SMILES for 1-tert-butyl-3-(difluoromethylidene)azetidine is CC(C)(C)N1CC(=C(F)F)C1.
What is the InChIKey of 1-tert-butyl-3-(difluoromethylidene)azetidine?
The InChIKey is HIEHLMGRLSHHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-8(2,3)11-4-6(5-11)7(9)10/h4-5H2,1-3H3.
What are the key properties of 1-tert-butyl-3-(difluoromethylidene)azetidine?
1-tert-butyl-3-(difluoromethylidene)azetidine has a molecular weight of 161.19 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(difluoromethylidene)azetidine is sourced from PubChem (CID 167168791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).