2-(difluoromethyl)-3-methylazetidin-3-ol

C5H9F2NO — CID 178087797

IUPAC2-(difluoromethyl)-3-methylazetidin-3-ol
SMILESCC1(O)CNC1C(F)F
InChIInChI=1S/C5H9F2NO/c1-5(9)2-8-3(5)4(6)7/h3-4,8-9H,2H2,1H3
InChIKeyZDWMFIUVQIVKOC-UHFFFAOYSA-N
MW137.13 g/mol
LogP-0.03
Rot. Bonds1

About 2-(difluoromethyl)-3-methylazetidin-3-ol

2-(difluoromethyl)-3-methylazetidin-3-ol (PubChem CID 178087797) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-methylazetidin-3-ol.

Molecular Properties

Compound Name2-(difluoromethyl)-3-methylazetidin-3-ol
PubChem CID178087797
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Name2-(difluoromethyl)-3-methylazetidin-3-ol
SMILESCC1(O)CNC1C(F)F
InChIInChI=1S/C5H9F2NO/c1-5(9)2-8-3(5)4(6)7/h3-4,8-9H,2H2,1H3
InChIKeyZDWMFIUVQIVKOC-UHFFFAOYSA-N
XLogP-0.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1,1,1-trifluoro-3-(methylamino)-2-(trifluoromethyl)butan-2-ol
CID 88974881
(3R)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol
CID 88974920
(3R)-1,1,1-trifluoro-3-(methylamino)-2-(trifluoromethyl)butan-2-ol
CID 89018951
(3S)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol
CID 89019029
3-[2-(3,3,3-Trifluoropropylamino)ethyl]azetidin-3-ol
CID 141210953
(2R)-2-[(2R)-azetidin-2-yl]-1,1,1-trifluoropropan-2-ol
CID 178067145
(2R)-2-[(2R)-azetidin-2-yl]-1,1,1-trifluorobutan-2-ol
CID 178067160
2-(1-Fluoroethyl)-3-methylazetidin-3-ol
CID 178087906
2-Methyl-1-(3,3,3-trifluoropropylamino)butan-2-ol
CID 65111139
2-Methyl-1-(2,2,2-trifluoroethylamino)butan-2-ol
CID 65111254
1-(2,2-Difluoroethylamino)-2-methylbutan-2-ol
CID 65111524
2-Methyl-3-(2,2,2-trifluoroethylamino)butan-2-ol
CID 65332779

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-methylazetidin-3-ol?
The IUPAC name of 2-(difluoromethyl)-3-methylazetidin-3-ol (CID 178087797) is 2-(difluoromethyl)-3-methylazetidin-3-ol.
What is the SMILES notation for 2-(difluoromethyl)-3-methylazetidin-3-ol?
The canonical SMILES for 2-(difluoromethyl)-3-methylazetidin-3-ol is CC1(O)CNC1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-3-methylazetidin-3-ol?
The InChIKey is ZDWMFIUVQIVKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c1-5(9)2-8-3(5)4(6)7/h3-4,8-9H,2H2,1H3.
What are the key properties of 2-(difluoromethyl)-3-methylazetidin-3-ol?
2-(difluoromethyl)-3-methylazetidin-3-ol has a molecular weight of 137.13 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-methylazetidin-3-ol is sourced from PubChem (CID 178087797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).