4-fluoro-3-(methoxymethyl)-1-propan-2-ylindole

C13H16FNO — CID 117172053

IUPAC4-fluoro-3-(methoxymethyl)-1-propan-2-ylindole
SMILESCOCc1cn(C(C)C)c2cccc(F)c12
InChIInChI=1S/C13H16FNO/c1-9(2)15-7-10(8-16-3)13-11(14)5-4-6-12(13)15/h4-7,9H,8H2,1-3H3
InChIKeyZVRDPHHVBVFKCW-UHFFFAOYSA-N
MW221.27 g/mol
LogP3.51
Rot. Bonds3

About 4-fluoro-3-(methoxymethyl)-1-propan-2-ylindole

4-fluoro-3-(methoxymethyl)-1-propan-2-ylindole (PubChem CID 117172053) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is 4-fluoro-3-(methoxymethyl)-1-propan-2-ylindole.

Molecular Properties

Compound Name4-fluoro-3-(methoxymethyl)-1-propan-2-ylindole
PubChem CID117172053
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name4-fluoro-3-(methoxymethyl)-1-propan-2-ylindole
SMILESCOCc1cn(C(C)C)c2cccc(F)c12
InChIInChI=1S/C13H16FNO/c1-9(2)15-7-10(8-16-3)13-11(14)5-4-6-12(13)15/h4-7,9H,8H2,1-3H3
InChIKeyZVRDPHHVBVFKCW-UHFFFAOYSA-N
XLogP3.51
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-[(4-methoxyphenoxy)methyl]-1-propan-2-ylindole
CID 117171977
(4-fluoro-1-propan-2-ylindol-3-yl)methanamine
CID 117119687
4-fluoro-3-(methylsulfonylmethyl)-1-propan-2-ylindole
CID 117171819
3-(4-fluoro-1-propan-2-ylindol-3-yl)propanoic acid
CID 117119748
3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
CID 117171842
3-(methoxymethyl)-7-methyl-1-propan-2-ylindole
CID 117186336
1-ethyl-4-fluoro-3-[(3-methoxyphenoxy)methyl]indole
CID 117171919
N,N-dimethyl-1-(4-methyl-1-propan-2-ylindol-3-yl)methanamine
CID 117184616
3-[(3-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylindole
CID 117184652
3-(ethylsulfonylmethyl)-1-propan-2-ylindol-4-amine
CID 117171814
4-fluoro-1-methyl-3-(propan-2-ylsulfonylmethyl)indole
CID 117171230
3-(2-aminopropyl)-1-propan-2-ylindol-4-ol
CID 83918695

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(methoxymethyl)-1-propan-2-ylindole?
The IUPAC name of 4-fluoro-3-(methoxymethyl)-1-propan-2-ylindole (CID 117172053) is 4-fluoro-3-(methoxymethyl)-1-propan-2-ylindole.
What is the SMILES notation for 4-fluoro-3-(methoxymethyl)-1-propan-2-ylindole?
The canonical SMILES for 4-fluoro-3-(methoxymethyl)-1-propan-2-ylindole is COCc1cn(C(C)C)c2cccc(F)c12.
What is the InChIKey of 4-fluoro-3-(methoxymethyl)-1-propan-2-ylindole?
The InChIKey is ZVRDPHHVBVFKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-9(2)15-7-10(8-16-3)13-11(14)5-4-6-12(13)15/h4-7,9H,8H2,1-3H3.
What are the key properties of 4-fluoro-3-(methoxymethyl)-1-propan-2-ylindole?
4-fluoro-3-(methoxymethyl)-1-propan-2-ylindole has a molecular weight of 221.27 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(methoxymethyl)-1-propan-2-ylindole is sourced from PubChem (CID 117172053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).