3-(fluoromethyl)-3-methyl-1-(2-propan-2-yloxyethyl)azetidine

C10H20FNO — CID 161354285

IUPAC3-(fluoromethyl)-3-methyl-1-(2-propan-2-yloxyethyl)azetidine
SMILESCC(C)OCCN1CC(C)(CF)C1
InChIInChI=1S/C10H20FNO/c1-9(2)13-5-4-12-7-10(3,6-11)8-12/h9H,4-8H2,1-3H3
InChIKeyUNXKQHBSCNNUAT-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.70
Rot. Bonds5

About 3-(fluoromethyl)-3-methyl-1-(2-propan-2-yloxyethyl)azetidine

3-(fluoromethyl)-3-methyl-1-(2-propan-2-yloxyethyl)azetidine (PubChem CID 161354285) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 3-(fluoromethyl)-3-methyl-1-(2-propan-2-yloxyethyl)azetidine.

Molecular Properties

Compound Name3-(fluoromethyl)-3-methyl-1-(2-propan-2-yloxyethyl)azetidine
PubChem CID161354285
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name3-(fluoromethyl)-3-methyl-1-(2-propan-2-yloxyethyl)azetidine
SMILESCC(C)OCCN1CC(C)(CF)C1
InChIInChI=1S/C10H20FNO/c1-9(2)13-5-4-12-7-10(3,6-11)8-12/h9H,4-8H2,1-3H3
InChIKeyUNXKQHBSCNNUAT-UHFFFAOYSA-N
XLogP1.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine
CID 59223645
[3-Fluoro-2-(2-methylpropoxy)propyl]-trimethylazanium
CID 87169782
(2-Butan-2-yloxy-2-fluoropropyl)-trimethylazanium
CID 87169822
(2-Butan-2-yloxy-3-fluoropropyl)-trimethylazanium
CID 87169823
(3-Fluoro-2-propoxypropyl)-trimethylazanium
CID 87169910
(2-Fluoro-2-propan-2-yloxypropyl)-trimethylazanium
CID 87169934
(3-Fluoro-2-propan-2-yloxypropyl)-trimethylazanium
CID 87169935
(2-Ethoxy-3-fluoropropyl)-trimethylazanium
CID 87170088
N,N-diethyl-3-fluoro-2-methoxypropan-1-amine
CID 118147689
1-(2-Ethoxyethyl)-3-(fluoromethyl)azetidine
CID 123621807
N,N-diethyl-3-fluoro-2-propan-2-yloxypropan-1-amine
CID 123662471
3-(Fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine
CID 123717229

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-3-methyl-1-(2-propan-2-yloxyethyl)azetidine?
The IUPAC name of 3-(fluoromethyl)-3-methyl-1-(2-propan-2-yloxyethyl)azetidine (CID 161354285) is 3-(fluoromethyl)-3-methyl-1-(2-propan-2-yloxyethyl)azetidine.
What is the SMILES notation for 3-(fluoromethyl)-3-methyl-1-(2-propan-2-yloxyethyl)azetidine?
The canonical SMILES for 3-(fluoromethyl)-3-methyl-1-(2-propan-2-yloxyethyl)azetidine is CC(C)OCCN1CC(C)(CF)C1.
What is the InChIKey of 3-(fluoromethyl)-3-methyl-1-(2-propan-2-yloxyethyl)azetidine?
The InChIKey is UNXKQHBSCNNUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-9(2)13-5-4-12-7-10(3,6-11)8-12/h9H,4-8H2,1-3H3.
What are the key properties of 3-(fluoromethyl)-3-methyl-1-(2-propan-2-yloxyethyl)azetidine?
3-(fluoromethyl)-3-methyl-1-(2-propan-2-yloxyethyl)azetidine has a molecular weight of 189.27 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-3-methyl-1-(2-propan-2-yloxyethyl)azetidine is sourced from PubChem (CID 161354285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).