3-[(2S)-azetidin-2-yl]-2,5-difluoro-4-methylphenol

C10H11F2NO — CID 55271364

IUPAC3-[(2S)-azetidin-2-yl]-2,5-difluoro-4-methylphenol
SMILESCc1c(F)cc(O)c(F)c1[C@@H]1CCN1
InChIInChI=1S/C10H11F2NO/c1-5-6(11)4-8(14)10(12)9(5)7-2-3-13-7/h4,7,13-14H,2-3H2,1H3/t7-/m0/s1
InChIKeyQKEKEWXGCPYKDT-ZETCQYMHSA-N
MW199.20 g/mol
LogP2.01
Rot. Bonds1

About 3-[(2S)-azetidin-2-yl]-2,5-difluoro-4-methylphenol

3-[(2S)-azetidin-2-yl]-2,5-difluoro-4-methylphenol (PubChem CID 55271364) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 3-[(2S)-azetidin-2-yl]-2,5-difluoro-4-methylphenol.

Molecular Properties

Compound Name3-[(2S)-azetidin-2-yl]-2,5-difluoro-4-methylphenol
PubChem CID55271364
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name3-[(2S)-azetidin-2-yl]-2,5-difluoro-4-methylphenol
SMILESCc1c(F)cc(O)c(F)c1[C@@H]1CCN1
InChIInChI=1S/C10H11F2NO/c1-5-6(11)4-8(14)10(12)9(5)7-2-3-13-7/h4,7,13-14H,2-3H2,1H3/t7-/m0/s1
InChIKeyQKEKEWXGCPYKDT-ZETCQYMHSA-N
XLogP2.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-azetidin-2-yl]-2,5-difluoro-4-methylphenol?
The IUPAC name of 3-[(2S)-azetidin-2-yl]-2,5-difluoro-4-methylphenol (CID 55271364) is 3-[(2S)-azetidin-2-yl]-2,5-difluoro-4-methylphenol.
What is the SMILES notation for 3-[(2S)-azetidin-2-yl]-2,5-difluoro-4-methylphenol?
The canonical SMILES for 3-[(2S)-azetidin-2-yl]-2,5-difluoro-4-methylphenol is Cc1c(F)cc(O)c(F)c1[C@@H]1CCN1.
What is the InChIKey of 3-[(2S)-azetidin-2-yl]-2,5-difluoro-4-methylphenol?
The InChIKey is QKEKEWXGCPYKDT-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-5-6(11)4-8(14)10(12)9(5)7-2-3-13-7/h4,7,13-14H,2-3H2,1H3/t7-/m0/s1.
What are the key properties of 3-[(2S)-azetidin-2-yl]-2,5-difluoro-4-methylphenol?
3-[(2S)-azetidin-2-yl]-2,5-difluoro-4-methylphenol has a molecular weight of 199.20 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-azetidin-2-yl]-2,5-difluoro-4-methylphenol is sourced from PubChem (CID 55271364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).