3-[(4,4-difluorocyclohexyl)methoxy]azetidine

C10H17F2NO — CID 169104391

IUPAC3-[(4,4-difluorocyclohexyl)methoxy]azetidine
SMILESFC1(F)CCC(COC2CNC2)CC1
InChIInChI=1S/C10H17F2NO/c11-10(12)3-1-8(2-4-10)7-14-9-5-13-6-9/h8-9,13H,1-7H2
InChIKeyPYLSOSKMFDRCSY-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.80
Rot. Bonds3

About 3-[(4,4-difluorocyclohexyl)methoxy]azetidine

3-[(4,4-difluorocyclohexyl)methoxy]azetidine (PubChem CID 169104391) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 3-[(4,4-difluorocyclohexyl)methoxy]azetidine.

Molecular Properties

Compound Name3-[(4,4-difluorocyclohexyl)methoxy]azetidine
PubChem CID169104391
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name3-[(4,4-difluorocyclohexyl)methoxy]azetidine
SMILESFC1(F)CCC(COC2CNC2)CC1
InChIInChI=1S/C10H17F2NO/c11-10(12)3-1-8(2-4-10)7-14-9-5-13-6-9/h8-9,13H,1-7H2
InChIKeyPYLSOSKMFDRCSY-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(4,4-difluorocyclohexyl)methoxy]azetidine 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

3-[(6,6-Difluoro-3-bicyclo[3.1.0]hexanyl)methoxy]azetidine
CID 169104715
N-[2-(2-ethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine
CID 55088631
2-(Cyclohexylmethoxy)-3,3,3-trifluoropropan-1-amine
CID 62382185
2,2,2-trifluoro-N-[2-(4-methylcyclohexyl)oxyethyl]ethanamine
CID 62566542
2-(4-methylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62566700
2,2,2-trifluoro-N-[2-(2-methylcyclohexyl)oxyethyl]ethanamine
CID 62566905
2-(cyclohexylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62584583
N-[2-(cyclohexylmethoxy)ethyl]-2,2,2-trifluoroethanamine
CID 62584965
2-(3-methylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62599010
2,2,2-trifluoro-N-[2-(3-methylcyclohexyl)oxyethyl]ethanamine
CID 62599353
N-[2-(3-ethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine
CID 64256233
2-(3-ethylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 64257410

Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-difluorocyclohexyl)methoxy]azetidine?
The IUPAC name of 3-[(4,4-difluorocyclohexyl)methoxy]azetidine (CID 169104391) is 3-[(4,4-difluorocyclohexyl)methoxy]azetidine.
What is the SMILES notation for 3-[(4,4-difluorocyclohexyl)methoxy]azetidine?
The canonical SMILES for 3-[(4,4-difluorocyclohexyl)methoxy]azetidine is FC1(F)CCC(COC2CNC2)CC1.
What is the InChIKey of 3-[(4,4-difluorocyclohexyl)methoxy]azetidine?
The InChIKey is PYLSOSKMFDRCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c11-10(12)3-1-8(2-4-10)7-14-9-5-13-6-9/h8-9,13H,1-7H2.
What are the key properties of 3-[(4,4-difluorocyclohexyl)methoxy]azetidine?
3-[(4,4-difluorocyclohexyl)methoxy]azetidine has a molecular weight of 205.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-difluorocyclohexyl)methoxy]azetidine is sourced from PubChem (CID 169104391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).