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

C12H16FNO — CID 64865831

IUPAC[1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanol
SMILESCc1ccc(N2CCC(CO)C2)cc1F
InChIInChI=1S/C12H16FNO/c1-9-2-3-11(6-12(9)13)14-5-4-10(7-14)8-15/h2-3,6,10,15H,4-5,7-8H2,1H3
InChIKeyFLUGWAAGVDIQMI-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.95
Rot. Bonds2

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

[1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanol (PubChem CID 64865831) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is [1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanol
PubChem CID64865831
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name[1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanol
SMILESCc1ccc(N2CCC(CO)C2)cc1F
InChIInChI=1S/C12H16FNO/c1-9-2-3-11(6-12(9)13)14-5-4-10(7-14)8-15/h2-3,6,10,15H,4-5,7-8H2,1H3
InChIKeyFLUGWAAGVDIQMI-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanol
CID 104781713
[(3R)-1-(2-fluoro-4-pyridinyl)pyrrolidin-3-yl]methanol
CID 129413791
[1-(3-bromo-4-methylphenyl)piperidin-4-yl]methanol
CID 117027951
[1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methanol
CID 64863294
[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987
[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanol
CID 64868848
[1-(4-methyl-3-nitrophenyl)piperidin-3-yl]methanol
CID 62910419
N-[[1-(4-bromo-3-fluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 65436366
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 62373112
[1-[4-[(1S)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol
CID 103942779
[1-[4-[(1R)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol
CID 103942786
3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine
CID 64925990

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanol (CID 64865831) is [1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanol is Cc1ccc(N2CCC(CO)C2)cc1F.
What is the InChIKey of [1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanol?
The InChIKey is FLUGWAAGVDIQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-9-2-3-11(6-12(9)13)14-5-4-10(7-14)8-15/h2-3,6,10,15H,4-5,7-8H2,1H3.
What are the key properties of [1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanol?
[1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanol has a molecular weight of 209.26 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 64865831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).