[1-[(3,3-difluoroazetidin-1-yl)methyl]cyclopropyl]methanol;ethane

C10H19F2NO — CID 178038025

IUPAC[1-[(3,3-difluoroazetidin-1-yl)methyl]cyclopropyl]methanol;ethane
SMILESCC.OCC1(CN2CC(F)(F)C2)CC1
InChIInChI=1S/C8H13F2NO.C2H6/c9-8(10)4-11(5-8)3-7(6-12)1-2-7;1-2/h12H,1-6H2;1-2H3
InChIKeyJJGUSVDQLCRFBK-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.74
Rot. Bonds3

About [1-[(3,3-difluoroazetidin-1-yl)methyl]cyclopropyl]methanol;ethane

[1-[(3,3-difluoroazetidin-1-yl)methyl]cyclopropyl]methanol;ethane (PubChem CID 178038025) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is [1-[(3,3-difluoroazetidin-1-yl)methyl]cyclopropyl]methanol;ethane.

Molecular Properties

Compound Name[1-[(3,3-difluoroazetidin-1-yl)methyl]cyclopropyl]methanol;ethane
PubChem CID178038025
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name[1-[(3,3-difluoroazetidin-1-yl)methyl]cyclopropyl]methanol;ethane
SMILESCC.OCC1(CN2CC(F)(F)C2)CC1
InChIInChI=1S/C8H13F2NO.C2H6/c9-8(10)4-11(5-8)3-7(6-12)1-2-7;1-2/h12H,1-6H2;1-2H3
InChIKeyJJGUSVDQLCRFBK-UHFFFAOYSA-N
XLogP1.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-((3-Fluoroazetidin-1-yl)methyl)cyclopropyl)methanol
CID 155794255
(3-Methylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanol
CID 163519813
[1-[(3,3-Difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;propane
CID 166533365
[1-[(3,3-Difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;ethane
CID 166533706
(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-[[2-Fluorobutyl(methyl)amino]methyl]cyclopropyl]methanol
CID 172348858

Frequently Asked Questions

What is the IUPAC name of [1-[(3,3-difluoroazetidin-1-yl)methyl]cyclopropyl]methanol;ethane?
The IUPAC name of [1-[(3,3-difluoroazetidin-1-yl)methyl]cyclopropyl]methanol;ethane (CID 178038025) is [1-[(3,3-difluoroazetidin-1-yl)methyl]cyclopropyl]methanol;ethane.
What is the SMILES notation for [1-[(3,3-difluoroazetidin-1-yl)methyl]cyclopropyl]methanol;ethane?
The canonical SMILES for [1-[(3,3-difluoroazetidin-1-yl)methyl]cyclopropyl]methanol;ethane is CC.OCC1(CN2CC(F)(F)C2)CC1.
What is the InChIKey of [1-[(3,3-difluoroazetidin-1-yl)methyl]cyclopropyl]methanol;ethane?
The InChIKey is JJGUSVDQLCRFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO.C2H6/c9-8(10)4-11(5-8)3-7(6-12)1-2-7;1-2/h12H,1-6H2;1-2H3.
What are the key properties of [1-[(3,3-difluoroazetidin-1-yl)methyl]cyclopropyl]methanol;ethane?
[1-[(3,3-difluoroazetidin-1-yl)methyl]cyclopropyl]methanol;ethane has a molecular weight of 207.26 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,3-difluoroazetidin-1-yl)methyl]cyclopropyl]methanol;ethane is sourced from PubChem (CID 178038025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).