(3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one

C13H16FNO — CID 146175141

IUPAC(3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one
SMILESCC(=O)[C@H](C)CN1CCc2ccc(F)cc21
InChIInChI=1S/C13H16FNO/c1-9(10(2)16)8-15-6-5-11-3-4-12(14)7-13(11)15/h3-4,7,9H,5-6,8H2,1-2H3/t9-/m1/s1
InChIKeyUMGJUKVSDQXSAC-SECBINFHSA-N
MW221.28 g/mol
LogP2.41
Rot. Bonds3

About (3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one

(3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one (PubChem CID 146175141) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is (3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one.

Molecular Properties

Compound Name(3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one
PubChem CID146175141
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name(3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one
SMILESCC(=O)[C@H](C)CN1CCc2ccc(F)cc21
InChIInChI=1S/C13H16FNO/c1-9(10(2)16)8-15-6-5-11-3-4-12(14)7-13(11)15/h3-4,7,9H,5-6,8H2,1-2H3/t9-/m1/s1
InChIKeyUMGJUKVSDQXSAC-SECBINFHSA-N
XLogP2.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one?
The IUPAC name of (3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one (CID 146175141) is (3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one.
What is the SMILES notation for (3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one?
The canonical SMILES for (3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one is CC(=O)[C@H](C)CN1CCc2ccc(F)cc21.
What is the InChIKey of (3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one?
The InChIKey is UMGJUKVSDQXSAC-SECBINFHSA-N. The full InChI is InChI=1S/C13H16FNO/c1-9(10(2)16)8-15-6-5-11-3-4-12(14)7-13(11)15/h3-4,7,9H,5-6,8H2,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one?
(3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one has a molecular weight of 221.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one is sourced from PubChem (CID 146175141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).