[(2S,3S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanol

C12H16FNO — CID 45097139

IUPAC[(2S,3S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanol
SMILESCc1cc(F)ccc1[C@H]1NCC[C@@H]1CO
InChIInChI=1S/C12H16FNO/c1-8-6-10(13)2-3-11(8)12-9(7-15)4-5-14-12/h2-3,6,9,12,14-15H,4-5,7H2,1H3/t9-,12+/m1/s1
InChIKeyGNDLBXBPPPOBCB-SKDRFNHKSA-N
MW209.26 g/mol
LogP1.78
Rot. Bonds2

About [(2S,3S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanol

[(2S,3S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanol (PubChem CID 45097139) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is [(2S,3S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanol
PubChem CID45097139
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name[(2S,3S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanol
SMILESCc1cc(F)ccc1[C@H]1NCC[C@@H]1CO
InChIInChI=1S/C12H16FNO/c1-8-6-10(13)2-3-11(8)12-9(7-15)4-5-14-12/h2-3,6,9,12,14-15H,4-5,7H2,1H3/t9-,12+/m1/s1
InChIKeyGNDLBXBPPPOBCB-SKDRFNHKSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(2S,3S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanol (CID 45097139) is [(2S,3S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(2S,3S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(2S,3S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanol is Cc1cc(F)ccc1[C@H]1NCC[C@@H]1CO.
What is the InChIKey of [(2S,3S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanol?
The InChIKey is GNDLBXBPPPOBCB-SKDRFNHKSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8-6-10(13)2-3-11(8)12-9(7-15)4-5-14-12/h2-3,6,9,12,14-15H,4-5,7H2,1H3/t9-,12+/m1/s1.
What are the key properties of [(2S,3S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanol?
[(2S,3S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanol has a molecular weight of 209.26 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 45097139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).