3-(2-fluoropropan-2-yl)-1-methylindol-6-ol

C12H14FNO — CID 84675129

IUPAC3-(2-fluoropropan-2-yl)-1-methylindol-6-ol
SMILESCn1cc(C(C)(C)F)c2ccc(O)cc21
InChIInChI=1S/C12H14FNO/c1-12(2,13)10-7-14(3)11-6-8(15)4-5-9(10)11/h4-7,15H,1-3H3
InChIKeyTZDOSUNFNSAETE-UHFFFAOYSA-N
MW207.25 g/mol
LogP3.09
Rot. Bonds1

About 3-(2-fluoropropan-2-yl)-1-methylindol-6-ol

3-(2-fluoropropan-2-yl)-1-methylindol-6-ol (PubChem CID 84675129) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 3-(2-fluoropropan-2-yl)-1-methylindol-6-ol.

Molecular Properties

Compound Name3-(2-fluoropropan-2-yl)-1-methylindol-6-ol
PubChem CID84675129
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name3-(2-fluoropropan-2-yl)-1-methylindol-6-ol
SMILESCn1cc(C(C)(C)F)c2ccc(O)cc21
InChIInChI=1S/C12H14FNO/c1-12(2,13)10-7-14(3)11-6-8(15)4-5-9(10)11/h4-7,15H,1-3H3
InChIKeyTZDOSUNFNSAETE-UHFFFAOYSA-N
XLogP3.09
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropan-2-yl)-1-methylindol-6-ol?
The IUPAC name of 3-(2-fluoropropan-2-yl)-1-methylindol-6-ol (CID 84675129) is 3-(2-fluoropropan-2-yl)-1-methylindol-6-ol.
What is the SMILES notation for 3-(2-fluoropropan-2-yl)-1-methylindol-6-ol?
The canonical SMILES for 3-(2-fluoropropan-2-yl)-1-methylindol-6-ol is Cn1cc(C(C)(C)F)c2ccc(O)cc21.
What is the InChIKey of 3-(2-fluoropropan-2-yl)-1-methylindol-6-ol?
The InChIKey is TZDOSUNFNSAETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-12(2,13)10-7-14(3)11-6-8(15)4-5-9(10)11/h4-7,15H,1-3H3.
What are the key properties of 3-(2-fluoropropan-2-yl)-1-methylindol-6-ol?
3-(2-fluoropropan-2-yl)-1-methylindol-6-ol has a molecular weight of 207.25 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropan-2-yl)-1-methylindol-6-ol is sourced from PubChem (CID 84675129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).