1-[(3,5-difluorophenyl)methyl]azetidin-3-ol

C10H11F2NO — CID 105407824

IUPAC1-[(3,5-difluorophenyl)methyl]azetidin-3-ol
SMILESOC1CN(Cc2cc(F)cc(F)c2)C1
InChIInChI=1S/C10H11F2NO/c11-8-1-7(2-9(12)3-8)4-13-5-10(14)6-13/h1-3,10,14H,4-6H2
InChIKeyZAZSIYLDNLWAQY-UHFFFAOYSA-N
MW199.20 g/mol
LogP1.14
Rot. Bonds2

About 1-[(3,5-difluorophenyl)methyl]azetidin-3-ol

1-[(3,5-difluorophenyl)methyl]azetidin-3-ol (PubChem CID 105407824) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]azetidin-3-ol
PubChem CID105407824
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name1-[(3,5-difluorophenyl)methyl]azetidin-3-ol
SMILESOC1CN(Cc2cc(F)cc(F)c2)C1
InChIInChI=1S/C10H11F2NO/c11-8-1-7(2-9(12)3-8)4-13-5-10(14)6-13/h1-3,10,14H,4-6H2
InChIKeyZAZSIYLDNLWAQY-UHFFFAOYSA-N
XLogP1.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol
CID 107225646
(3aS,6aR)-5-[(3,5-difluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042242
(3S)-1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-ol
CID 79673830
1-[(3-amino-5-fluorophenyl)methyl]pyrrolidin-3-ol
CID 112646139
3-chloro-1-[(3,5-difluorophenyl)methyl]-4-methylpiperidine
CID 102960013
(3R,4R)-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol
CID 134702526
6-[(3,5-difluorophenyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682641
1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol
CID 55169790
1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 162490790
[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methanamine
CID 67492267
1-[(3,5-difluorophenyl)methyl]piperidin-4-one
CID 23218606
10-[(3,5-difluorophenyl)methyl]-1,4,7-trithia-10-azacyclododecane
CID 101270130

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]azetidin-3-ol?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]azetidin-3-ol (CID 105407824) is 1-[(3,5-difluorophenyl)methyl]azetidin-3-ol.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]azetidin-3-ol?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]azetidin-3-ol is OC1CN(Cc2cc(F)cc(F)c2)C1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]azetidin-3-ol?
The InChIKey is ZAZSIYLDNLWAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-8-1-7(2-9(12)3-8)4-13-5-10(14)6-13/h1-3,10,14H,4-6H2.
What are the key properties of 1-[(3,5-difluorophenyl)methyl]azetidin-3-ol?
1-[(3,5-difluorophenyl)methyl]azetidin-3-ol has a molecular weight of 199.20 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]azetidin-3-ol is sourced from PubChem (CID 105407824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).