3,3-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]azetidine

C10H19F2NO — CID 138607645

IUPAC3,3-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]azetidine
SMILESCC(C)(C)OCCCN1CC(F)(F)C1
InChIInChI=1S/C10H19F2NO/c1-9(2,3)14-6-4-5-13-7-10(11,12)8-13/h4-8H2,1-3H3
InChIKeyKMNLRXPHPPZKLT-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.14
Rot. Bonds4

About 3,3-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]azetidine

3,3-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]azetidine (PubChem CID 138607645) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 3,3-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]azetidine.

Molecular Properties

Compound Name3,3-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]azetidine
PubChem CID138607645
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name3,3-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]azetidine
SMILESCC(C)(C)OCCCN1CC(F)(F)C1
InChIInChI=1S/C10H19F2NO/c1-9(2,3)14-6-4-5-13-7-10(11,12)8-13/h4-8H2,1-3H3
InChIKeyKMNLRXPHPPZKLT-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine
CID 59223645
1-(3-Ethoxypropyl)-3-fluoroazetidine
CID 118973290
3-Fluoro-1-(3-propan-2-yloxypropyl)azetidine
CID 130262373
3,3-Difluoro-1-(3-propan-2-yloxypropyl)azetidine
CID 130262376
3-(Difluoromethoxymethyl)-1-(2,2-dimethylpropyl)azetidine
CID 137419190
1-Tert-butyl-3-ethoxy-3-(trifluoromethyl)azetidine
CID 137536642
3,3-Difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine
CID 138607648
3-Fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine
CID 140959055
3-(3-Fluoropropoxymethyl)-1-(2-methylpropyl)azetidine
CID 142616577
1-Ethyl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine
CID 145394987
3-Ethoxy-1-propan-2-yl-3-(trifluoromethyl)azetidine
CID 146303101
N,N-bis(2-fluoroethyl)-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 147298784

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]azetidine?
The IUPAC name of 3,3-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]azetidine (CID 138607645) is 3,3-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]azetidine.
What is the SMILES notation for 3,3-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]azetidine?
The canonical SMILES for 3,3-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]azetidine is CC(C)(C)OCCCN1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]azetidine?
The InChIKey is KMNLRXPHPPZKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-9(2,3)14-6-4-5-13-7-10(11,12)8-13/h4-8H2,1-3H3.
What are the key properties of 3,3-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]azetidine?
3,3-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]azetidine has a molecular weight of 207.26 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]azetidine is sourced from PubChem (CID 138607645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).