4-(7-fluoro-1H-indol-3-yl)-4-methylpentan-2-one

C14H16FNO — CID 28806517

IUPAC4-(7-fluoro-1H-indol-3-yl)-4-methylpentan-2-one
SMILESCC(=O)CC(C)(C)c1c[nH]c2c(F)cccc12
InChIInChI=1S/C14H16FNO/c1-9(17)7-14(2,3)11-8-16-13-10(11)5-4-6-12(13)15/h4-6,8,16H,7H2,1-3H3
InChIKeyWCKRLKDWBHUBPZ-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.56
Rot. Bonds3

About 4-(7-fluoro-1H-indol-3-yl)-4-methylpentan-2-one

4-(7-fluoro-1H-indol-3-yl)-4-methylpentan-2-one (PubChem CID 28806517) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 4-(7-fluoro-1H-indol-3-yl)-4-methylpentan-2-one.

Molecular Properties

Compound Name4-(7-fluoro-1H-indol-3-yl)-4-methylpentan-2-one
PubChem CID28806517
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name4-(7-fluoro-1H-indol-3-yl)-4-methylpentan-2-one
SMILESCC(=O)CC(C)(C)c1c[nH]c2c(F)cccc12
InChIInChI=1S/C14H16FNO/c1-9(17)7-14(2,3)11-8-16-13-10(11)5-4-6-12(13)15/h4-6,8,16H,7H2,1-3H3
InChIKeyWCKRLKDWBHUBPZ-UHFFFAOYSA-N
XLogP3.56
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-2-ol
CID 117197609
7-fluoro-1H-indole-3-carboxylic acid
CID 28806320
N-(2-amino-2-methylpropyl)-2-(7-fluoro-1H-indol-3-yl)acetamide
CID 110833834
7-fluoro-3-methyl-1H-indole
CID 55287812
3-(2-fluoropropan-2-yl)-1H-indole-7-carboxylic acid
CID 84686528
3-[chloro-(7-fluoro-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-7-fluoro-1H-indole
CID 155772337
4-(7-fluoro-1H-indol-3-yl)-4-oxobutanoic acid
CID 82496507
N-[3-[3-(2-fluorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide
CID 58731339
7-fluoro-1H-indole-3-sulfonamide
CID 175763774
(Z)-3-(7-fluoro-1H-indol-3-yl)prop-2-enoic acid
CID 83971122
2-[[2-(7-fluoro-1H-indol-3-yl)acetyl]-methylamino]acetic acid
CID 110835994
7-fluoro-3-iodo-1H-indole
CID 76846549

Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoro-1H-indol-3-yl)-4-methylpentan-2-one?
The IUPAC name of 4-(7-fluoro-1H-indol-3-yl)-4-methylpentan-2-one (CID 28806517) is 4-(7-fluoro-1H-indol-3-yl)-4-methylpentan-2-one.
What is the SMILES notation for 4-(7-fluoro-1H-indol-3-yl)-4-methylpentan-2-one?
The canonical SMILES for 4-(7-fluoro-1H-indol-3-yl)-4-methylpentan-2-one is CC(=O)CC(C)(C)c1c[nH]c2c(F)cccc12.
What is the InChIKey of 4-(7-fluoro-1H-indol-3-yl)-4-methylpentan-2-one?
The InChIKey is WCKRLKDWBHUBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-9(17)7-14(2,3)11-8-16-13-10(11)5-4-6-12(13)15/h4-6,8,16H,7H2,1-3H3.
What are the key properties of 4-(7-fluoro-1H-indol-3-yl)-4-methylpentan-2-one?
4-(7-fluoro-1H-indol-3-yl)-4-methylpentan-2-one has a molecular weight of 233.29 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoro-1H-indol-3-yl)-4-methylpentan-2-one is sourced from PubChem (CID 28806517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).