[(1R)-2,2-difluoro-1-[(3-fluoroazetidin-1-yl)methyl]cyclopropyl]methanol

C8H12F3NO — CID 178065691

IUPAC[(1R)-2,2-difluoro-1-[(3-fluoroazetidin-1-yl)methyl]cyclopropyl]methanol
SMILESOC[C@]1(CN2CC(F)C2)CC1(F)F
InChIInChI=1S/C8H12F3NO/c9-6-1-12(2-6)4-7(5-13)3-8(7,10)11/h6,13H,1-5H2/t7-/m1/s1
InChIKeyRLJAXQYKKACKSS-SSDOTTSWSA-N
MW195.18 g/mol
LogP0.66
Rot. Bonds3

About [(1R)-2,2-difluoro-1-[(3-fluoroazetidin-1-yl)methyl]cyclopropyl]methanol

[(1R)-2,2-difluoro-1-[(3-fluoroazetidin-1-yl)methyl]cyclopropyl]methanol (PubChem CID 178065691) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is [(1R)-2,2-difluoro-1-[(3-fluoroazetidin-1-yl)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[(1R)-2,2-difluoro-1-[(3-fluoroazetidin-1-yl)methyl]cyclopropyl]methanol
PubChem CID178065691
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name[(1R)-2,2-difluoro-1-[(3-fluoroazetidin-1-yl)methyl]cyclopropyl]methanol
SMILESOC[C@]1(CN2CC(F)C2)CC1(F)F
InChIInChI=1S/C8H12F3NO/c9-6-1-12(2-6)4-7(5-13)3-8(7,10)11/h6,13H,1-5H2/t7-/m1/s1
InChIKeyRLJAXQYKKACKSS-SSDOTTSWSA-N
XLogP0.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1R)-2,2-difluoro-1-[(3-fluoroazetidin-1-yl)methyl]cyclopropyl]methanol with MolForge

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Related Compounds

(1-((3,3-Difluoropyrrolidin-1-YL)methyl)cyclopropyl)methanol
CID 116991627
(1-((3-Fluoroazetidin-1-yl)methyl)cyclopropyl)methanol
CID 155794255
(3-Methylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanol
CID 163519813
(R)-(1-((Dimethylamino)methyl)-2,2-difluorocyclopropyl)methanol
CID 167284466
(S)-(1-((Dimethylamino)methyl)-2,2-difluorocyclopropyl)methanol
CID 168906596
[1-[(3,3-Difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;hydrofluoride
CID 169182531
[1-[(Dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol
CID 169727724
[1-[(3,3-Difluoroazetidin-1-yl)methyl]cyclopropyl]methanol
CID 169901466
[1-[[(3,3-Difluorocyclobutyl)-methylamino]methyl]cyclopropyl]methanol
CID 169901516
[(1R)-2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol
CID 171568117
[1-[[3-(Fluoromethyl)azetidin-1-yl]methyl]cyclopropyl]methanol
CID 172490197
[(1R)-1-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2,2-difluorocyclopropyl]methanol
CID 172587933

Frequently Asked Questions

What is the IUPAC name of [(1R)-2,2-difluoro-1-[(3-fluoroazetidin-1-yl)methyl]cyclopropyl]methanol?
The IUPAC name of [(1R)-2,2-difluoro-1-[(3-fluoroazetidin-1-yl)methyl]cyclopropyl]methanol (CID 178065691) is [(1R)-2,2-difluoro-1-[(3-fluoroazetidin-1-yl)methyl]cyclopropyl]methanol.
What is the SMILES notation for [(1R)-2,2-difluoro-1-[(3-fluoroazetidin-1-yl)methyl]cyclopropyl]methanol?
The canonical SMILES for [(1R)-2,2-difluoro-1-[(3-fluoroazetidin-1-yl)methyl]cyclopropyl]methanol is OC[C@]1(CN2CC(F)C2)CC1(F)F.
What is the InChIKey of [(1R)-2,2-difluoro-1-[(3-fluoroazetidin-1-yl)methyl]cyclopropyl]methanol?
The InChIKey is RLJAXQYKKACKSS-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-6-1-12(2-6)4-7(5-13)3-8(7,10)11/h6,13H,1-5H2/t7-/m1/s1.
What are the key properties of [(1R)-2,2-difluoro-1-[(3-fluoroazetidin-1-yl)methyl]cyclopropyl]methanol?
[(1R)-2,2-difluoro-1-[(3-fluoroazetidin-1-yl)methyl]cyclopropyl]methanol has a molecular weight of 195.18 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2,2-difluoro-1-[(3-fluoroazetidin-1-yl)methyl]cyclopropyl]methanol is sourced from PubChem (CID 178065691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).