4-fluoro-2-(propan-2-yloxymethyl)-1H-indole

C12H14FNO — CID 117173426

IUPAC4-fluoro-2-(propan-2-yloxymethyl)-1H-indole
SMILESCC(C)OCc1cc2c(F)cccc2[nH]1
InChIInChI=1S/C12H14FNO/c1-8(2)15-7-9-6-10-11(13)4-3-5-12(10)14-9/h3-6,8,14H,7H2,1-2H3
InChIKeySTEFTIQDQIXJAV-UHFFFAOYSA-N
MW207.25 g/mol
LogP3.23
Rot. Bonds3

About 4-fluoro-2-(propan-2-yloxymethyl)-1H-indole

4-fluoro-2-(propan-2-yloxymethyl)-1H-indole (PubChem CID 117173426) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 4-fluoro-2-(propan-2-yloxymethyl)-1H-indole.

Molecular Properties

Compound Name4-fluoro-2-(propan-2-yloxymethyl)-1H-indole
PubChem CID117173426
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name4-fluoro-2-(propan-2-yloxymethyl)-1H-indole
SMILESCC(C)OCc1cc2c(F)cccc2[nH]1
InChIInChI=1S/C12H14FNO/c1-8(2)15-7-9-6-10-11(13)4-3-5-12(10)14-9/h3-6,8,14H,7H2,1-2H3
InChIKeySTEFTIQDQIXJAV-UHFFFAOYSA-N
XLogP3.23
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-(propan-2-yloxymethyl)-1H-indole
CID 117176868
ethane;4-fluoro-2-methyl-1H-indole
CID 171088115
N-[(4-fluoro-1H-indol-2-yl)methyl]cyclopropanamine
CID 117173075
1-ethyl-4-fluoro-2-(propan-2-yloxymethyl)indole
CID 117173999
4-fluoro-N-methyl-1H-indol-2-amine
CID 143863709
2-(propan-2-yloxymethyl)-1H-indol-7-amine
CID 117183754
4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole
CID 130177595
methyl (3S)-3-[(4-fluoro-1H-indole-2-carbonyl)amino]butanoate
CID 95933772
2-(2-methylpropyl)-4-(trifluoromethyl)-1H-indole
CID 173055904
1-(4-methylsulfanyl-1H-indol-2-yl)propan-2-amine
CID 83917653
4-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide
CID 109388525
2-[(3-bromophenoxy)methyl]-4-methyl-1H-indole
CID 117184850

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(propan-2-yloxymethyl)-1H-indole?
The IUPAC name of 4-fluoro-2-(propan-2-yloxymethyl)-1H-indole (CID 117173426) is 4-fluoro-2-(propan-2-yloxymethyl)-1H-indole.
What is the SMILES notation for 4-fluoro-2-(propan-2-yloxymethyl)-1H-indole?
The canonical SMILES for 4-fluoro-2-(propan-2-yloxymethyl)-1H-indole is CC(C)OCc1cc2c(F)cccc2[nH]1.
What is the InChIKey of 4-fluoro-2-(propan-2-yloxymethyl)-1H-indole?
The InChIKey is STEFTIQDQIXJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-8(2)15-7-9-6-10-11(13)4-3-5-12(10)14-9/h3-6,8,14H,7H2,1-2H3.
What are the key properties of 4-fluoro-2-(propan-2-yloxymethyl)-1H-indole?
4-fluoro-2-(propan-2-yloxymethyl)-1H-indole has a molecular weight of 207.25 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(propan-2-yloxymethyl)-1H-indole is sourced from PubChem (CID 117173426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).