2-[4-fluoro-2-(hydroxymethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

C14H18FNO2 — CID 113399306

IUPAC2-[4-fluoro-2-(hydroxymethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESOCc1cc(F)ccc1N1CC2CCC(O)C2C1
InChIInChI=1S/C14H18FNO2/c15-11-2-3-13(10(5-11)8-17)16-6-9-1-4-14(18)12(9)7-16/h2-3,5,9,12,14,17-18H,1,4,6-8H2
InChIKeyKAYJJTBPNIATSV-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.53
Rot. Bonds2

About 2-[4-fluoro-2-(hydroxymethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

2-[4-fluoro-2-(hydroxymethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (PubChem CID 113399306) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-[4-fluoro-2-(hydroxymethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-[4-fluoro-2-(hydroxymethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
PubChem CID113399306
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-[4-fluoro-2-(hydroxymethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESOCc1cc(F)ccc1N1CC2CCC(O)C2C1
InChIInChI=1S/C14H18FNO2/c15-11-2-3-13(10(5-11)8-17)16-6-9-1-4-14(18)12(9)7-16/h2-3,5,9,12,14,17-18H,1,4,6-8H2
InChIKeyKAYJJTBPNIATSV-UHFFFAOYSA-N
XLogP1.53
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol
CID 66393104
1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-3-ol
CID 61434288
[2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanol
CID 62206262
2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-methylbenzaldehyde
CID 114054257
[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluorophenyl]methanol
CID 79934838
2-[1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-4-yl]oxyethanol
CID 82691559
2-[5-chloro-2-(methylaminomethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 114853359
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 115560640
2-bromo-3-fluoro-4-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)benzenecarbothioamide
CID 107535349
1-[4-fluoro-2-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691708
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorophenyl]propan-2-amine
CID 115562562
[5-fluoro-2-(4-propylpiperazin-1-yl)phenyl]methanol
CID 43313182

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(hydroxymethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The IUPAC name of 2-[4-fluoro-2-(hydroxymethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (CID 113399306) is 2-[4-fluoro-2-(hydroxymethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for 2-[4-fluoro-2-(hydroxymethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The canonical SMILES for 2-[4-fluoro-2-(hydroxymethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is OCc1cc(F)ccc1N1CC2CCC(O)C2C1.
What is the InChIKey of 2-[4-fluoro-2-(hydroxymethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The InChIKey is KAYJJTBPNIATSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-11-2-3-13(10(5-11)8-17)16-6-9-1-4-14(18)12(9)7-16/h2-3,5,9,12,14,17-18H,1,4,6-8H2.
What are the key properties of 2-[4-fluoro-2-(hydroxymethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
2-[4-fluoro-2-(hydroxymethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol has a molecular weight of 251.30 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(hydroxymethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 113399306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).