1-(2,2-difluoroethyl)-2-ethylazetidine;methanethiol

C8H17F2NS — CID 163270154

IUPAC1-(2,2-difluoroethyl)-2-ethylazetidine;methanethiol
SMILESCCC1CCN1CC(F)F.CS
InChIInChI=1S/C7H13F2N.CH4S/c1-2-6-3-4-10(6)5-7(8)9;1-2/h6-7H,2-5H2,1H3;2H,1H3
InChIKeyTTZOGXAFHRYPOO-UHFFFAOYSA-N
MW197.29 g/mol
LogP2.28
Rot. Bonds3

About 1-(2,2-difluoroethyl)-2-ethylazetidine;methanethiol

1-(2,2-difluoroethyl)-2-ethylazetidine;methanethiol (PubChem CID 163270154) has the molecular formula C8H17F2NS and a molecular weight of 197.29 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-2-ethylazetidine;methanethiol.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-2-ethylazetidine;methanethiol
PubChem CID163270154
Molecular FormulaC8H17F2NS
Molecular Weight197.29 g/mol
Exact Mass197.10
IUPAC Name1-(2,2-difluoroethyl)-2-ethylazetidine;methanethiol
SMILESCCC1CCN1CC(F)F.CS
InChIInChI=1S/C7H13F2N.CH4S/c1-2-6-3-4-10(6)5-7(8)9;1-2/h6-7H,2-5H2,1H3;2H,1H3
InChIKeyTTZOGXAFHRYPOO-UHFFFAOYSA-N
XLogP2.28
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-(2,2-difluoroethyl)-2-ethylazetidine;methanethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,2-difluoroethyl)-7-ethyl-1,4-diazepane
CID 172843294
1-(2,2-difluoroethyl)-2-ethylpiperazine
CID 63600944
2-ethyl-1-(2-fluoropropyl)pyrrolidine
CID 177053751
2-ethyl-1-(2-fluoroethyl)azetidine
CID 130677041
azane;1,2-diethylazetidine;dihydrochloride
CID 175211859
(2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine;propane
CID 145338634
(2R)-1-(2,2-difluoroethyl)-2-(2-methylpropyl)pyrrolidine
CID 58279608
(2S)-1-(2-ethylpyrrolidin-1-yl)propan-2-amine
CID 103934506
1-[4-(2,2-difluoroethyl)-3-ethylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 154842204
2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]acetaldehyde
CID 84655882
2-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107519853
1-(2,2-difluoroethyl)-3-ethylpyrrolidine;ethane
CID 169182399

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-2-ethylazetidine;methanethiol?
The IUPAC name of 1-(2,2-difluoroethyl)-2-ethylazetidine;methanethiol (CID 163270154) is 1-(2,2-difluoroethyl)-2-ethylazetidine;methanethiol.
What is the SMILES notation for 1-(2,2-difluoroethyl)-2-ethylazetidine;methanethiol?
The canonical SMILES for 1-(2,2-difluoroethyl)-2-ethylazetidine;methanethiol is CCC1CCN1CC(F)F.CS.
What is the InChIKey of 1-(2,2-difluoroethyl)-2-ethylazetidine;methanethiol?
The InChIKey is TTZOGXAFHRYPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N.CH4S/c1-2-6-3-4-10(6)5-7(8)9;1-2/h6-7H,2-5H2,1H3;2H,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-2-ethylazetidine;methanethiol?
1-(2,2-difluoroethyl)-2-ethylazetidine;methanethiol has a molecular weight of 197.29 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-2-ethylazetidine;methanethiol is sourced from PubChem (CID 163270154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).