2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropan-1-ol

C13H17FO — CID 105461969

IUPAC2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropan-1-ol
SMILESCC(C)(CO)C1CCc2cc(F)ccc21
InChIInChI=1S/C13H17FO/c1-13(2,8-15)12-6-3-9-7-10(14)4-5-11(9)12/h4-5,7,12,15H,3,6,8H2,1-2H3
InChIKeyKEDHQUXRSBUATR-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.87
Rot. Bonds2

About 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropan-1-ol

2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropan-1-ol (PubChem CID 105461969) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropan-1-ol
PubChem CID105461969
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropan-1-ol
SMILESCC(C)(CO)C1CCc2cc(F)ccc21
InChIInChI=1S/C13H17FO/c1-13(2,8-15)12-6-3-9-7-10(14)4-5-11(9)12/h4-5,7,12,15H,3,6,8H2,1-2H3
InChIKeyKEDHQUXRSBUATR-UHFFFAOYSA-N
XLogP2.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-6-fluoro-1,2,3,4-tetrahydronaphthalene
CID 134573314
2-ethyl-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol
CID 103935768
6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 115010803
2-ethyl-2-[[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]butan-1-ol
CID 103904666
5-fluoro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-1-amine
CID 116531106
5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 16666328
[(1S)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
CID 96993138
6-fluoro-N,2-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83907576
1-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4,4-dimethylpentan-2-ol
CID 103784366
(2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 104980476
2-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-ol
CID 105461963
(1R,2R)-2-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol
CID 51600890

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropan-1-ol (CID 105461969) is 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropan-1-ol is CC(C)(CO)C1CCc2cc(F)ccc21.
What is the InChIKey of 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropan-1-ol?
The InChIKey is KEDHQUXRSBUATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO/c1-13(2,8-15)12-6-3-9-7-10(14)4-5-11(9)12/h4-5,7,12,15H,3,6,8H2,1-2H3.
What are the key properties of 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropan-1-ol?
2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropan-1-ol has a molecular weight of 208.28 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 105461969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).