[2-[(2S)-azetidin-2-yl]-4-fluoro-5-methylphenyl]methanol

C11H14FNO — CID 130607738

IUPAC[2-[(2S)-azetidin-2-yl]-4-fluoro-5-methylphenyl]methanol
SMILESCc1cc(CO)c([C@@H]2CCN2)cc1F
InChIInChI=1S/C11H14FNO/c1-7-4-8(6-14)9(5-10(7)12)11-2-3-13-11/h4-5,11,13-14H,2-3,6H2,1H3/t11-/m0/s1
InChIKeyQQLDCAOQYGRWSC-NSHDSACASA-N
MW195.24 g/mol
LogP1.66
Rot. Bonds2

About [2-[(2S)-azetidin-2-yl]-4-fluoro-5-methylphenyl]methanol

[2-[(2S)-azetidin-2-yl]-4-fluoro-5-methylphenyl]methanol (PubChem CID 130607738) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is [2-[(2S)-azetidin-2-yl]-4-fluoro-5-methylphenyl]methanol.

Molecular Properties

Compound Name[2-[(2S)-azetidin-2-yl]-4-fluoro-5-methylphenyl]methanol
PubChem CID130607738
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name[2-[(2S)-azetidin-2-yl]-4-fluoro-5-methylphenyl]methanol
SMILESCc1cc(CO)c([C@@H]2CCN2)cc1F
InChIInChI=1S/C11H14FNO/c1-7-4-8(6-14)9(5-10(7)12)11-2-3-13-11/h4-5,11,13-14H,2-3,6H2,1H3/t11-/m0/s1
InChIKeyQQLDCAOQYGRWSC-NSHDSACASA-N
XLogP1.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[(2S)-azetidin-2-yl]-4-fluoro-5-methylphenyl]methanol?
The IUPAC name of [2-[(2S)-azetidin-2-yl]-4-fluoro-5-methylphenyl]methanol (CID 130607738) is [2-[(2S)-azetidin-2-yl]-4-fluoro-5-methylphenyl]methanol.
What is the SMILES notation for [2-[(2S)-azetidin-2-yl]-4-fluoro-5-methylphenyl]methanol?
The canonical SMILES for [2-[(2S)-azetidin-2-yl]-4-fluoro-5-methylphenyl]methanol is Cc1cc(CO)c([C@@H]2CCN2)cc1F.
What is the InChIKey of [2-[(2S)-azetidin-2-yl]-4-fluoro-5-methylphenyl]methanol?
The InChIKey is QQLDCAOQYGRWSC-NSHDSACASA-N. The full InChI is InChI=1S/C11H14FNO/c1-7-4-8(6-14)9(5-10(7)12)11-2-3-13-11/h4-5,11,13-14H,2-3,6H2,1H3/t11-/m0/s1.
What are the key properties of [2-[(2S)-azetidin-2-yl]-4-fluoro-5-methylphenyl]methanol?
[2-[(2S)-azetidin-2-yl]-4-fluoro-5-methylphenyl]methanol has a molecular weight of 195.24 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S)-azetidin-2-yl]-4-fluoro-5-methylphenyl]methanol is sourced from PubChem (CID 130607738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).