3-(chloromethyl)-1-(2,2-difluoroethyl)azetidine

C6H10ClF2N — CID 130531167

IUPAC3-(chloromethyl)-1-(2,2-difluoroethyl)azetidine
SMILESFC(F)CN1CC(CCl)C1
InChIInChI=1S/C6H10ClF2N/c7-1-5-2-10(3-5)4-6(8)9/h5-6H,1-4H2
InChIKeyVKQILXBWGGGLIF-UHFFFAOYSA-N
MW169.60 g/mol
LogP1.42
Rot. Bonds3

About 3-(chloromethyl)-1-(2,2-difluoroethyl)azetidine

3-(chloromethyl)-1-(2,2-difluoroethyl)azetidine (PubChem CID 130531167) has the molecular formula C6H10ClF2N and a molecular weight of 169.60 g/mol. Its IUPAC name is 3-(chloromethyl)-1-(2,2-difluoroethyl)azetidine.

Molecular Properties

Compound Name3-(chloromethyl)-1-(2,2-difluoroethyl)azetidine
PubChem CID130531167
Molecular FormulaC6H10ClF2N
Molecular Weight169.60 g/mol
Exact Mass169.05
IUPAC Name3-(chloromethyl)-1-(2,2-difluoroethyl)azetidine
SMILESFC(F)CN1CC(CCl)C1
InChIInChI=1S/C6H10ClF2N/c7-1-5-2-10(3-5)4-6(8)9/h5-6H,1-4H2
InChIKeyVKQILXBWGGGLIF-UHFFFAOYSA-N
XLogP1.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.60
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2,2-difluoroethyl)azetidin-3-yl]-N-methylmethanamine
CID 84651844
(3S,4S)-1-(2,2-difluoroethyl)pyrrolidine-3,4-diol
CID 124681434
2-(2,2-difluoroethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 130628620
4-(chloromethyl)-1-(2,2-difluoroethyl)pyrrolidin-2-one
CID 168508177
1-(2,2-difluoroethyl)-3-ethylpyrrolidine;ethane
CID 169182399
(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine
CID 79005005
3-chloro-1-(2,2-difluoroethyl)pyrrolidine
CID 63387384
[1-(2,2-difluoroethyl)azepan-3-yl]methanamine
CID 84664091
2-(2,2-difluoroethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 130986086
(4S)-1-(2,2-difluoroethyl)-3-fluoro-4-methylpyrrolidine;ethane
CID 177212700
1-(2,2-difluoroethyl)-3,7-dimethyl-1,5-diazocane
CID 115408499
1-[(5-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)azetidine
CID 130531144

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-(2,2-difluoroethyl)azetidine?
The IUPAC name of 3-(chloromethyl)-1-(2,2-difluoroethyl)azetidine (CID 130531167) is 3-(chloromethyl)-1-(2,2-difluoroethyl)azetidine.
What is the SMILES notation for 3-(chloromethyl)-1-(2,2-difluoroethyl)azetidine?
The canonical SMILES for 3-(chloromethyl)-1-(2,2-difluoroethyl)azetidine is FC(F)CN1CC(CCl)C1.
What is the InChIKey of 3-(chloromethyl)-1-(2,2-difluoroethyl)azetidine?
The InChIKey is VKQILXBWGGGLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClF2N/c7-1-5-2-10(3-5)4-6(8)9/h5-6H,1-4H2.
What are the key properties of 3-(chloromethyl)-1-(2,2-difluoroethyl)azetidine?
3-(chloromethyl)-1-(2,2-difluoroethyl)azetidine has a molecular weight of 169.60 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-(2,2-difluoroethyl)azetidine is sourced from PubChem (CID 130531167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).