3-(difluoromethylidene)-1-methylazetidine

C5H7F2N — CID 146588193

IUPAC3-(difluoromethylidene)-1-methylazetidine
SMILESCN1CC(=C(F)F)C1
InChIInChI=1S/C5H7F2N/c1-8-2-4(3-8)5(6)7/h2-3H2,1H3
InChIKeyRLXVFLZESJGJGD-UHFFFAOYSA-N
MW119.11 g/mol
LogP1.08
Rot. Bonds

About 3-(difluoromethylidene)-1-methylazetidine

3-(difluoromethylidene)-1-methylazetidine (PubChem CID 146588193) has the molecular formula C5H7F2N and a molecular weight of 119.11 g/mol. Its IUPAC name is 3-(difluoromethylidene)-1-methylazetidine.

Molecular Properties

Compound Name3-(difluoromethylidene)-1-methylazetidine
PubChem CID146588193
Molecular FormulaC5H7F2N
Molecular Weight119.11 g/mol
Exact Mass119.05
IUPAC Name3-(difluoromethylidene)-1-methylazetidine
SMILESCN1CC(=C(F)F)C1
InChIInChI=1S/C5H7F2N/c1-8-2-4(3-8)5(6)7/h2-3H2,1H3
InChIKeyRLXVFLZESJGJGD-UHFFFAOYSA-N
XLogP1.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.11
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(Difluoromethylidene)-1-ethylazetidine
CID 139474852
3,3-Difluoro-1-(2-methylprop-2-enyl)azetidine
CID 166696193
1-Tert-butyl-3-(difluoromethylidene)azetidine
CID 167168791
3-(Difluoromethylidene)-1-propan-2-ylazetidine
CID 169586782
1-[(2R)-butan-2-yl]-3-(difluoromethylidene)azetidine
CID 174031054

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylidene)-1-methylazetidine?
The IUPAC name of 3-(difluoromethylidene)-1-methylazetidine (CID 146588193) is 3-(difluoromethylidene)-1-methylazetidine.
What is the SMILES notation for 3-(difluoromethylidene)-1-methylazetidine?
The canonical SMILES for 3-(difluoromethylidene)-1-methylazetidine is CN1CC(=C(F)F)C1.
What is the InChIKey of 3-(difluoromethylidene)-1-methylazetidine?
The InChIKey is RLXVFLZESJGJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N/c1-8-2-4(3-8)5(6)7/h2-3H2,1H3.
What are the key properties of 3-(difluoromethylidene)-1-methylazetidine?
3-(difluoromethylidene)-1-methylazetidine has a molecular weight of 119.11 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylidene)-1-methylazetidine is sourced from PubChem (CID 146588193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).