2-[(6-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol

C15H18FNO — CID 84632825

IUPAC2-[(6-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol
SMILESCc1[nH]c2cc(F)ccc2c1CC1CCCC1O
InChIInChI=1S/C15H18FNO/c1-9-13(7-10-3-2-4-15(10)18)12-6-5-11(16)8-14(12)17-9/h5-6,8,10,15,17-18H,2-4,7H2,1H3
InChIKeyLSPLWSVWJRIKNF-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.32
Rot. Bonds2

About 2-[(6-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol

2-[(6-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol (PubChem CID 84632825) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 2-[(6-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(6-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol
PubChem CID84632825
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name2-[(6-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol
SMILESCc1[nH]c2cc(F)ccc2c1CC1CCCC1O
InChIInChI=1S/C15H18FNO/c1-9-13(7-10-3-2-4-15(10)18)12-6-5-11(16)8-14(12)17-9/h5-6,8,10,15,17-18H,2-4,7H2,1H3
InChIKeyLSPLWSVWJRIKNF-UHFFFAOYSA-N
XLogP3.32
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole
CID 84632406
2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol
CID 84637812
2-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclohexan-1-amine
CID 84638269
4-(6-fluoro-2-methyl-1H-indol-3-yl)butan-2-one
CID 82493826
2-[(6-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-amine
CID 84637405
cis-(1R,3S)-3-amino-N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 166276508
3-(6-fluoro-2-methyl-1H-indol-3-yl)propanenitrile
CID 82491568
N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine
CID 82498821
5-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 178091795
2-[(6-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one
CID 84644854
7-fluoro-N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethylquinoline-4-carboxamide
CID 109400346
2-(6-fluoro-1H-indol-3-yl)-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 111464326

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 2-[(6-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol (CID 84632825) is 2-[(6-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[(6-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[(6-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol is Cc1[nH]c2cc(F)ccc2c1CC1CCCC1O.
What is the InChIKey of 2-[(6-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol?
The InChIKey is LSPLWSVWJRIKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-9-13(7-10-3-2-4-15(10)18)12-6-5-11(16)8-14(12)17-9/h5-6,8,10,15,17-18H,2-4,7H2,1H3.
What are the key properties of 2-[(6-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol?
2-[(6-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol has a molecular weight of 247.31 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 84632825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).