2-[3-(fluoromethyl)azetidin-1-yl]propan-1-ol

C7H14FNO — CID 155487402

IUPAC2-[3-(fluoromethyl)azetidin-1-yl]propan-1-ol
SMILESCC(CO)N1CC(CF)C1
InChIInChI=1S/C7H14FNO/c1-6(5-10)9-3-7(2-8)4-9/h6-7,10H,2-5H2,1H3
InChIKeyCRVDRPCXWIGXFD-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.27
Rot. Bonds3

About 2-[3-(fluoromethyl)azetidin-1-yl]propan-1-ol

2-[3-(fluoromethyl)azetidin-1-yl]propan-1-ol (PubChem CID 155487402) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 2-[3-(fluoromethyl)azetidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-[3-(fluoromethyl)azetidin-1-yl]propan-1-ol
PubChem CID155487402
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name2-[3-(fluoromethyl)azetidin-1-yl]propan-1-ol
SMILESCC(CO)N1CC(CF)C1
InChIInChI=1S/C7H14FNO/c1-6(5-10)9-3-7(2-8)4-9/h6-7,10H,2-5H2,1H3
InChIKeyCRVDRPCXWIGXFD-UHFFFAOYSA-N
XLogP0.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,2,2-Trifluoro-1-methyl-ethyl)-azetidin-3-YL]-methanol
CID 46942221
[1-(3-Fluoropropyl)azetidin-3-yl]methanol
CID 81114401
2-(3-(Fluoromethyl)azetidin-1-yl)ethan-1-ol
CID 89619685
2-[2-(Fluoromethyl)azetidin-1-yl]ethanol
CID 131988988
2-(3-Fluoroazetidin-1-yl)propane-1,3-diol
CID 137502062
1-(3-Fluoroazetidin-1-yl)-2-methylpropan-1-ol
CID 139320171
2-[3-(2-Fluoroethyl)azetidin-1-yl]ethanol
CID 153305174
(3-Fluoro-1-propan-2-ylazetidin-3-yl)methanol
CID 156829108
[(2S)-1-(2-fluoroethyl)azetidin-2-yl]methanol
CID 175894593
3-[3-(Fluoromethyl)azetidin-1-yl]propan-1-ol
CID 179031344
[(2R,3R)-3-fluoro-1-methylazetidin-2-yl]methanol
CID 179049979
[1-(2-Fluoroethyl)azetidin-3-yl]methanol
CID 80698288

Frequently Asked Questions

What is the IUPAC name of 2-[3-(fluoromethyl)azetidin-1-yl]propan-1-ol?
The IUPAC name of 2-[3-(fluoromethyl)azetidin-1-yl]propan-1-ol (CID 155487402) is 2-[3-(fluoromethyl)azetidin-1-yl]propan-1-ol.
What is the SMILES notation for 2-[3-(fluoromethyl)azetidin-1-yl]propan-1-ol?
The canonical SMILES for 2-[3-(fluoromethyl)azetidin-1-yl]propan-1-ol is CC(CO)N1CC(CF)C1.
What is the InChIKey of 2-[3-(fluoromethyl)azetidin-1-yl]propan-1-ol?
The InChIKey is CRVDRPCXWIGXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-6(5-10)9-3-7(2-8)4-9/h6-7,10H,2-5H2,1H3.
What are the key properties of 2-[3-(fluoromethyl)azetidin-1-yl]propan-1-ol?
2-[3-(fluoromethyl)azetidin-1-yl]propan-1-ol has a molecular weight of 147.19 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(fluoromethyl)azetidin-1-yl]propan-1-ol is sourced from PubChem (CID 155487402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).