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

C9H18FNO — CID 123717229

IUPAC3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine
SMILESCC(C)OCCN1CC(CF)C1
InChIInChI=1S/C9H18FNO/c1-8(2)12-4-3-11-6-9(5-10)7-11/h8-9H,3-7H2,1-2H3
InChIKeySRPFABQRKVVNNH-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.31
Rot. Bonds5

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

3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine (PubChem CID 123717229) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine.

Molecular Properties

Compound Name3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine
PubChem CID123717229
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine
SMILESCC(C)OCCN1CC(CF)C1
InChIInChI=1S/C9H18FNO/c1-8(2)12-4-3-11-6-9(5-10)7-11/h8-9H,3-7H2,1-2H3
InChIKeySRPFABQRKVVNNH-UHFFFAOYSA-N
XLogP1.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methoxy-3-methyl-1-(2-methylpropyl)azetidine
CID 15208627
1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine
CID 59223645
[2-Fluoro-2-(2-methylpropoxy)propyl]-trimethylazanium
CID 87169781
[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
3-(Fluoromethyl)-1-(2-methoxyethyl)azetidine
CID 123322216

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine?
The IUPAC name of 3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine (CID 123717229) is 3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine.
What is the SMILES notation for 3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine?
The canonical SMILES for 3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine is CC(C)OCCN1CC(CF)C1.
What is the InChIKey of 3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine?
The InChIKey is SRPFABQRKVVNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-8(2)12-4-3-11-6-9(5-10)7-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine?
3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine has a molecular weight of 175.25 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine is sourced from PubChem (CID 123717229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).