[1-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]methanol

C12H16FNO — CID 70091266

IUPAC[1-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]methanol
SMILESCc1cc(N2CCCC2CO)ccc1F
InChIInChI=1S/C12H16FNO/c1-9-7-10(4-5-12(9)13)14-6-2-3-11(14)8-15/h4-5,7,11,15H,2-3,6,8H2,1H3
InChIKeyHTYMRRNTDOOHTB-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.10
Rot. Bonds2

About [1-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]methanol

[1-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]methanol (PubChem CID 70091266) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is [1-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]methanol
PubChem CID70091266
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name[1-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]methanol
SMILESCc1cc(N2CCCC2CO)ccc1F
InChIInChI=1S/C12H16FNO/c1-9-7-10(4-5-12(9)13)14-6-2-3-11(14)8-15/h4-5,7,11,15H,2-3,6,8H2,1H3
InChIKeyHTYMRRNTDOOHTB-UHFFFAOYSA-N
XLogP2.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]methanol (CID 70091266) is [1-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]methanol is Cc1cc(N2CCCC2CO)ccc1F.
What is the InChIKey of [1-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]methanol?
The InChIKey is HTYMRRNTDOOHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-9-7-10(4-5-12(9)13)14-6-2-3-11(14)8-15/h4-5,7,11,15H,2-3,6,8H2,1H3.
What are the key properties of [1-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]methanol?
[1-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]methanol has a molecular weight of 209.26 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 70091266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).