(2-tert-butyl-6-fluoro-1H-indol-4-yl)methanol

C13H16FNO — CID 169058814

IUPAC(2-tert-butyl-6-fluoro-1H-indol-4-yl)methanol
SMILESCC(C)(C)c1cc2c(CO)cc(F)cc2[nH]1
InChIInChI=1S/C13H16FNO/c1-13(2,3)12-6-10-8(7-16)4-9(14)5-11(10)15-12/h4-6,15-16H,7H2,1-3H3
InChIKeyYMTUOLQYKRZHEO-UHFFFAOYSA-N
MW221.27 g/mol
LogP3.10
Rot. Bonds1

About (2-tert-butyl-6-fluoro-1H-indol-4-yl)methanol

(2-tert-butyl-6-fluoro-1H-indol-4-yl)methanol (PubChem CID 169058814) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is (2-tert-butyl-6-fluoro-1H-indol-4-yl)methanol.

Molecular Properties

Compound Name(2-tert-butyl-6-fluoro-1H-indol-4-yl)methanol
PubChem CID169058814
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name(2-tert-butyl-6-fluoro-1H-indol-4-yl)methanol
SMILESCC(C)(C)c1cc2c(CO)cc(F)cc2[nH]1
InChIInChI=1S/C13H16FNO/c1-13(2,3)12-6-10-8(7-16)4-9(14)5-11(10)15-12/h4-6,15-16H,7H2,1-3H3
InChIKeyYMTUOLQYKRZHEO-UHFFFAOYSA-N
XLogP3.10
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2-tert-butyl-3,5-difluorophenyl)methanol
CID 166835720
[2-(trifluoromethyl)-1H-indol-4-yl]methanol
CID 84680774
4-bromo-2-tert-butyl-1H-pyrrolo[3,2-c]pyridine
CID 171750640
(5-fluoro-2-methoxy-3-methylphenyl)methanol
CID 84653739
methyl 4-ethyl-6-fluoro-1H-indole-2-carboxylate
CID 146155137
(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methanol
CID 84710384
(3-bromo-2,5-difluorophenyl)methanol
CID 66657412
(3,5-difluoro-2-hexoxyphenyl)methanol
CID 91658009
[3-amino-5-fluoro-2-(trifluoromethoxy)phenyl]methanol
CID 131261840
2-tert-butyl-5-fluoro-7-methyl-1H-indole
CID 65337961
[2-(bromomethyl)-3,5-difluorophenyl]methanol
CID 22121420
(2-bromo-5-fluoro-3-iodophenyl)methanol
CID 131332719

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-6-fluoro-1H-indol-4-yl)methanol?
The IUPAC name of (2-tert-butyl-6-fluoro-1H-indol-4-yl)methanol (CID 169058814) is (2-tert-butyl-6-fluoro-1H-indol-4-yl)methanol.
What is the SMILES notation for (2-tert-butyl-6-fluoro-1H-indol-4-yl)methanol?
The canonical SMILES for (2-tert-butyl-6-fluoro-1H-indol-4-yl)methanol is CC(C)(C)c1cc2c(CO)cc(F)cc2[nH]1.
What is the InChIKey of (2-tert-butyl-6-fluoro-1H-indol-4-yl)methanol?
The InChIKey is YMTUOLQYKRZHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-13(2,3)12-6-10-8(7-16)4-9(14)5-11(10)15-12/h4-6,15-16H,7H2,1-3H3.
What are the key properties of (2-tert-butyl-6-fluoro-1H-indol-4-yl)methanol?
(2-tert-butyl-6-fluoro-1H-indol-4-yl)methanol has a molecular weight of 221.27 g/mol, XLogP of 3.10, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-6-fluoro-1H-indol-4-yl)methanol is sourced from PubChem (CID 169058814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).