(3-methylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanol

C9H14F3NO — CID 163519813

IUPAC(3-methylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanol
SMILESCC1CN(C(O)C2(C(F)(F)F)CC2)C1
InChIInChI=1S/C9H14F3NO/c1-6-4-13(5-6)7(14)8(2-3-8)9(10,11)12/h6-7,14H,2-5H2,1H3
InChIKeyDJVHAVDHCDWVBS-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.60
Rot. Bonds2

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

(3-methylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanol (PubChem CID 163519813) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is (3-methylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name(3-methylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanol
PubChem CID163519813
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name(3-methylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanol
SMILESCC1CN(C(O)C2(C(F)(F)F)CC2)C1
InChIInChI=1S/C9H14F3NO/c1-6-4-13(5-6)7(14)8(2-3-8)9(10,11)12/h6-7,14H,2-5H2,1H3
InChIKeyDJVHAVDHCDWVBS-UHFFFAOYSA-N
XLogP1.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-((3-Fluoroazetidin-1-yl)methyl)cyclopropyl)methanol
CID 155794255
[1-[(3,3-Difluoroazetidin-1-yl)methyl]cyclopropyl]methanol
CID 169901466
[(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
[(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
[2,2-Difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol
CID 177009181
[2,2-Difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol;ethane
CID 177009616
[1-[(3,3-Difluoroazetidin-1-yl)methyl]cyclopropyl]methanol;ethane
CID 178038025
[1-[(2,2-Difluoro-5-azaspiro[2.3]hexan-5-yl)methyl]cyclopropyl]methanol
CID 178065651
[(1R)-2,2-difluoro-1-[(3-fluoroazetidin-1-yl)methyl]cyclopropyl]methanol
CID 178065691

Frequently Asked Questions

What is the IUPAC name of (3-methylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanol?
The IUPAC name of (3-methylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanol (CID 163519813) is (3-methylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanol.
What is the SMILES notation for (3-methylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanol?
The canonical SMILES for (3-methylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanol is CC1CN(C(O)C2(C(F)(F)F)CC2)C1.
What is the InChIKey of (3-methylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanol?
The InChIKey is DJVHAVDHCDWVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-6-4-13(5-6)7(14)8(2-3-8)9(10,11)12/h6-7,14H,2-5H2,1H3.
What are the key properties of (3-methylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanol?
(3-methylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanol has a molecular weight of 209.21 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanol is sourced from PubChem (CID 163519813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).