[1-[(3-fluoro-3-methylazetidin-1-yl)methyl]cyclopropyl]methanol

C9H16FNO — CID 178037809

IUPAC[1-[(3-fluoro-3-methylazetidin-1-yl)methyl]cyclopropyl]methanol
SMILESCC1(F)CN(CC2(CO)CC2)C1
InChIInChI=1S/C9H16FNO/c1-8(10)4-11(5-8)6-9(7-12)2-3-9/h12H,2-7H2,1H3
InChIKeyDFDHRHUHCMPBAI-UHFFFAOYSA-N
MW173.23 g/mol
LogP0.80
Rot. Bonds3

About [1-[(3-fluoro-3-methylazetidin-1-yl)methyl]cyclopropyl]methanol

[1-[(3-fluoro-3-methylazetidin-1-yl)methyl]cyclopropyl]methanol (PubChem CID 178037809) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is [1-[(3-fluoro-3-methylazetidin-1-yl)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(3-fluoro-3-methylazetidin-1-yl)methyl]cyclopropyl]methanol
PubChem CID178037809
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name[1-[(3-fluoro-3-methylazetidin-1-yl)methyl]cyclopropyl]methanol
SMILESCC1(F)CN(CC2(CO)CC2)C1
InChIInChI=1S/C9H16FNO/c1-8(10)4-11(5-8)6-9(7-12)2-3-9/h12H,2-7H2,1H3
InChIKeyDFDHRHUHCMPBAI-UHFFFAOYSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

{1-[(Diethylamino)methyl]cyclopropyl}methanol
CID 94252158
(1-{[Ethyl(methyl)amino]methyl}cyclopropyl)methanol
CID 115243301
(1-((3-Fluoroazetidin-1-yl)methyl)cyclopropyl)methanol
CID 155794255
(3-Methylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanol
CID 163519813
[1-[(3,3-Difluoroazetidin-1-yl)methyl]cyclopropyl]methanol
CID 169901466
[1-[[(3,3-Difluorocyclobutyl)-methylamino]methyl]cyclopropyl]methanol
CID 169901516
[1-[[2-Fluorobutyl(methyl)amino]methyl]cyclopropyl]methanol
CID 172348858
3-(Fluoromethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine
CID 172349323
[1-[[3-(Fluoromethyl)azetidin-1-yl]methyl]cyclopropyl]methanol
CID 172490197
[(1S)-1-(azetidin-1-ylmethyl)-2,2-difluorocyclopropyl]methanol
CID 172588105
[(1R)-1-(azetidin-1-ylmethyl)-2,2-difluorocyclopropyl]methanol
CID 172588259
[1-(Azetidin-1-ylmethyl)-2,2-difluorocyclopropyl]methanol
CID 176377786

Frequently Asked Questions

What is the IUPAC name of [1-[(3-fluoro-3-methylazetidin-1-yl)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(3-fluoro-3-methylazetidin-1-yl)methyl]cyclopropyl]methanol (CID 178037809) is [1-[(3-fluoro-3-methylazetidin-1-yl)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(3-fluoro-3-methylazetidin-1-yl)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(3-fluoro-3-methylazetidin-1-yl)methyl]cyclopropyl]methanol is CC1(F)CN(CC2(CO)CC2)C1.
What is the InChIKey of [1-[(3-fluoro-3-methylazetidin-1-yl)methyl]cyclopropyl]methanol?
The InChIKey is DFDHRHUHCMPBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-8(10)4-11(5-8)6-9(7-12)2-3-9/h12H,2-7H2,1H3.
What are the key properties of [1-[(3-fluoro-3-methylazetidin-1-yl)methyl]cyclopropyl]methanol?
[1-[(3-fluoro-3-methylazetidin-1-yl)methyl]cyclopropyl]methanol has a molecular weight of 173.23 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-fluoro-3-methylazetidin-1-yl)methyl]cyclopropyl]methanol is sourced from PubChem (CID 178037809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).