(2S)-1-(2-fluoroethyl)-2-(propan-2-yloxymethyl)azetidine

C9H18FNO — CID 177126142

IUPAC(2S)-1-(2-fluoroethyl)-2-(propan-2-yloxymethyl)azetidine
SMILESCC(C)OC[C@@H]1CCN1CCF
InChIInChI=1S/C9H18FNO/c1-8(2)12-7-9-3-5-11(9)6-4-10/h8-9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyNFQTWUZCTANWSA-VIFPVBQESA-N
MW175.25 g/mol
LogP1.46
Rot. Bonds5

About (2S)-1-(2-fluoroethyl)-2-(propan-2-yloxymethyl)azetidine

(2S)-1-(2-fluoroethyl)-2-(propan-2-yloxymethyl)azetidine (PubChem CID 177126142) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is (2S)-1-(2-fluoroethyl)-2-(propan-2-yloxymethyl)azetidine.

Molecular Properties

Compound Name(2S)-1-(2-fluoroethyl)-2-(propan-2-yloxymethyl)azetidine
PubChem CID177126142
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name(2S)-1-(2-fluoroethyl)-2-(propan-2-yloxymethyl)azetidine
SMILESCC(C)OC[C@@H]1CCN1CCF
InChIInChI=1S/C9H18FNO/c1-8(2)12-7-9-3-5-11(9)6-4-10/h8-9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyNFQTWUZCTANWSA-VIFPVBQESA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-ethyl-2-(propan-2-yloxymethyl)azetidine
CID 154980113
2-ethyl-1-(2-fluoroethyl)azetidine
CID 130677041
N,N-dimethyl-2-[(2S)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]acetamide
CID 171413887
1-(2-fluoroethyl)azetidine-2-carbaldehyde
CID 175419767
1-(2-fluoroethyl)-2-(2-methylpropyl)piperazine
CID 80694838
1,4-bis(propan-2-yloxymethyl)cyclohexane
CID 18739268
(2S,4S)-1,4-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 159169138
[1-(2-fluoroethyl)-3-methylpyrrolidin-2-yl]methanol
CID 102787851
ethane;[1-(2-fluoroethyl)pyrrolidin-2-yl]methanol
CID 164922093
N-[[1-(2-fluoroethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 80693920
2-(2-methoxyethyl)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 176568407
[1-(2-propan-2-ylsulfanylethyl)azetidin-2-yl]methanamine
CID 84661694

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-fluoroethyl)-2-(propan-2-yloxymethyl)azetidine?
The IUPAC name of (2S)-1-(2-fluoroethyl)-2-(propan-2-yloxymethyl)azetidine (CID 177126142) is (2S)-1-(2-fluoroethyl)-2-(propan-2-yloxymethyl)azetidine.
What is the SMILES notation for (2S)-1-(2-fluoroethyl)-2-(propan-2-yloxymethyl)azetidine?
The canonical SMILES for (2S)-1-(2-fluoroethyl)-2-(propan-2-yloxymethyl)azetidine is CC(C)OC[C@@H]1CCN1CCF.
What is the InChIKey of (2S)-1-(2-fluoroethyl)-2-(propan-2-yloxymethyl)azetidine?
The InChIKey is NFQTWUZCTANWSA-VIFPVBQESA-N. The full InChI is InChI=1S/C9H18FNO/c1-8(2)12-7-9-3-5-11(9)6-4-10/h8-9H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-1-(2-fluoroethyl)-2-(propan-2-yloxymethyl)azetidine?
(2S)-1-(2-fluoroethyl)-2-(propan-2-yloxymethyl)azetidine has a molecular weight of 175.25 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-fluoroethyl)-2-(propan-2-yloxymethyl)azetidine is sourced from PubChem (CID 177126142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).