2-(3,3-difluoroazetidin-1-yl)ethanol;ethane

C7H15F2NO — CID 145372687

IUPAC2-(3,3-difluoroazetidin-1-yl)ethanol;ethane
SMILESCC.OCCN1CC(F)(F)C1
InChIInChI=1S/C5H9F2NO.C2H6/c6-5(7)3-8(4-5)1-2-9;1-2/h9H,1-4H2;1-2H3
InChIKeyNOMUSPFKMYFWSR-UHFFFAOYSA-N
MW167.20 g/mol
LogP0.96
Rot. Bonds2

About 2-(3,3-difluoroazetidin-1-yl)ethanol;ethane

2-(3,3-difluoroazetidin-1-yl)ethanol;ethane (PubChem CID 145372687) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is 2-(3,3-difluoroazetidin-1-yl)ethanol;ethane.

Molecular Properties

Compound Name2-(3,3-difluoroazetidin-1-yl)ethanol;ethane
PubChem CID145372687
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name2-(3,3-difluoroazetidin-1-yl)ethanol;ethane
SMILESCC.OCCN1CC(F)(F)C1
InChIInChI=1S/C5H9F2NO.C2H6/c6-5(7)3-8(4-5)1-2-9;1-2/h9H,1-4H2;1-2H3
InChIKeyNOMUSPFKMYFWSR-UHFFFAOYSA-N
XLogP0.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Azetidin-1-yl)ethan-1-ol
CID 54569113
2-[Methyl(2,2,2-trifluoroethyl)amino]ethan-1-ol
CID 54594038
2-(3-Fluoroazetidin-1-yl)ethan-1-ol
CID 125499608
(S)-1,1,1-Trifluoro-3-(diethylamino)propan-2-ol
CID 10058229
1-(2,2-Difluoroethyl)azetidin-3-ol
CID 63282692
2-[3-(Difluoromethoxy)azetidin-1-yl]ethan-1-ol
CID 131227819
2-[2-Fluoropropyl(methyl)amino]ethanol
CID 44521768
2-[(3-Fluoropropyl)(methyl)amino]ethan-1-ol
CID 57694918
2-[Propyl(2,2,2-trifluoroethyl)amino]ethanol
CID 60774691
2-[2,2-Difluoroethyl(ethyl)amino]ethanol
CID 62021588
1-(2,2,2-Trifluoroethyl)azetidin-3-ol
CID 63282292
3-[Ethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 63901425

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoroazetidin-1-yl)ethanol;ethane?
The IUPAC name of 2-(3,3-difluoroazetidin-1-yl)ethanol;ethane (CID 145372687) is 2-(3,3-difluoroazetidin-1-yl)ethanol;ethane.
What is the SMILES notation for 2-(3,3-difluoroazetidin-1-yl)ethanol;ethane?
The canonical SMILES for 2-(3,3-difluoroazetidin-1-yl)ethanol;ethane is CC.OCCN1CC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoroazetidin-1-yl)ethanol;ethane?
The InChIKey is NOMUSPFKMYFWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO.C2H6/c6-5(7)3-8(4-5)1-2-9;1-2/h9H,1-4H2;1-2H3.
What are the key properties of 2-(3,3-difluoroazetidin-1-yl)ethanol;ethane?
2-(3,3-difluoroazetidin-1-yl)ethanol;ethane has a molecular weight of 167.20 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoroazetidin-1-yl)ethanol;ethane is sourced from PubChem (CID 145372687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).