3-cyclopropyl-1-[(2,6-difluorophenyl)methyl]azetidin-3-ol

C13H15F2NO — CID 114933183

IUPAC3-cyclopropyl-1-[(2,6-difluorophenyl)methyl]azetidin-3-ol
SMILESOC1(C2CC2)CN(Cc2c(F)cccc2F)C1
InChIInChI=1S/C13H15F2NO/c14-11-2-1-3-12(15)10(11)6-16-7-13(17,8-16)9-4-5-9/h1-3,9,17H,4-8H2
InChIKeyAKULUOQBFOPCBD-UHFFFAOYSA-N
MW239.26 g/mol
LogP1.92
Rot. Bonds3

About 3-cyclopropyl-1-[(2,6-difluorophenyl)methyl]azetidin-3-ol

3-cyclopropyl-1-[(2,6-difluorophenyl)methyl]azetidin-3-ol (PubChem CID 114933183) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(2,6-difluorophenyl)methyl]azetidin-3-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-[(2,6-difluorophenyl)methyl]azetidin-3-ol
PubChem CID114933183
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name3-cyclopropyl-1-[(2,6-difluorophenyl)methyl]azetidin-3-ol
SMILESOC1(C2CC2)CN(Cc2c(F)cccc2F)C1
InChIInChI=1S/C13H15F2NO/c14-11-2-1-3-12(15)10(11)6-16-7-13(17,8-16)9-4-5-9/h1-3,9,17H,4-8H2
InChIKeyAKULUOQBFOPCBD-UHFFFAOYSA-N
XLogP1.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 115883312
[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 129380640
2-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]oxyethanol
CID 115883414
1-(2-amino-6-fluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol
CID 107212606
[1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62069119
1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115300011
1-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]ethanone
CID 756967
[1-[(2,6-difluorophenyl)methyl]azepan-2-yl]methanol
CID 114933196
2-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]ethanethioamide
CID 114930224
ethyl 1-[(2,6-difluorophenyl)methyl]piperidine-4-carboxylate
CID 115879637
2-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetic acid
CID 65060111
methyl 1-[(2,6-difluorophenyl)methyl]pyrrolidine-3-carboxylate
CID 113345340

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(2,6-difluorophenyl)methyl]azetidin-3-ol?
The IUPAC name of 3-cyclopropyl-1-[(2,6-difluorophenyl)methyl]azetidin-3-ol (CID 114933183) is 3-cyclopropyl-1-[(2,6-difluorophenyl)methyl]azetidin-3-ol.
What is the SMILES notation for 3-cyclopropyl-1-[(2,6-difluorophenyl)methyl]azetidin-3-ol?
The canonical SMILES for 3-cyclopropyl-1-[(2,6-difluorophenyl)methyl]azetidin-3-ol is OC1(C2CC2)CN(Cc2c(F)cccc2F)C1.
What is the InChIKey of 3-cyclopropyl-1-[(2,6-difluorophenyl)methyl]azetidin-3-ol?
The InChIKey is AKULUOQBFOPCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c14-11-2-1-3-12(15)10(11)6-16-7-13(17,8-16)9-4-5-9/h1-3,9,17H,4-8H2.
What are the key properties of 3-cyclopropyl-1-[(2,6-difluorophenyl)methyl]azetidin-3-ol?
3-cyclopropyl-1-[(2,6-difluorophenyl)methyl]azetidin-3-ol has a molecular weight of 239.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(2,6-difluorophenyl)methyl]azetidin-3-ol is sourced from PubChem (CID 114933183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).