(3R)-7-fluoro-3-methyl-3-propan-2-yl-3a,7a-dihydro-1H-indol-2-one

C12H16FNO — CID 166845584

IUPAC(3R)-7-fluoro-3-methyl-3-propan-2-yl-3a,7a-dihydro-1H-indol-2-one
SMILESCC(C)[C@@]1(C)C(=O)NC2C(F)=CC=CC21
InChIInChI=1S/C12H16FNO/c1-7(2)12(3)8-5-4-6-9(13)10(8)14-11(12)15/h4-8,10H,1-3H3,(H,14,15)/t8?,10?,12-/m1/s1
InChIKeyCZQFPAGOZAJRQN-HSLLBKHCSA-N
MW209.26 g/mol
LogP2.19
Rot. Bonds1

About (3R)-7-fluoro-3-methyl-3-propan-2-yl-3a,7a-dihydro-1H-indol-2-one

(3R)-7-fluoro-3-methyl-3-propan-2-yl-3a,7a-dihydro-1H-indol-2-one (PubChem CID 166845584) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (3R)-7-fluoro-3-methyl-3-propan-2-yl-3a,7a-dihydro-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-7-fluoro-3-methyl-3-propan-2-yl-3a,7a-dihydro-1H-indol-2-one
PubChem CID166845584
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(3R)-7-fluoro-3-methyl-3-propan-2-yl-3a,7a-dihydro-1H-indol-2-one
SMILESCC(C)[C@@]1(C)C(=O)NC2C(F)=CC=CC21
InChIInChI=1S/C12H16FNO/c1-7(2)12(3)8-5-4-6-9(13)10(8)14-11(12)15/h4-8,10H,1-3H3,(H,14,15)/t8?,10?,12-/m1/s1
InChIKeyCZQFPAGOZAJRQN-HSLLBKHCSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-7-fluoro-3-methyl-3-propan-2-yl-3a,7a-dihydro-1H-indol-2-one?
The IUPAC name of (3R)-7-fluoro-3-methyl-3-propan-2-yl-3a,7a-dihydro-1H-indol-2-one (CID 166845584) is (3R)-7-fluoro-3-methyl-3-propan-2-yl-3a,7a-dihydro-1H-indol-2-one.
What is the SMILES notation for (3R)-7-fluoro-3-methyl-3-propan-2-yl-3a,7a-dihydro-1H-indol-2-one?
The canonical SMILES for (3R)-7-fluoro-3-methyl-3-propan-2-yl-3a,7a-dihydro-1H-indol-2-one is CC(C)[C@@]1(C)C(=O)NC2C(F)=CC=CC21.
What is the InChIKey of (3R)-7-fluoro-3-methyl-3-propan-2-yl-3a,7a-dihydro-1H-indol-2-one?
The InChIKey is CZQFPAGOZAJRQN-HSLLBKHCSA-N. The full InChI is InChI=1S/C12H16FNO/c1-7(2)12(3)8-5-4-6-9(13)10(8)14-11(12)15/h4-8,10H,1-3H3,(H,14,15)/t8?,10?,12-/m1/s1.
What are the key properties of (3R)-7-fluoro-3-methyl-3-propan-2-yl-3a,7a-dihydro-1H-indol-2-one?
(3R)-7-fluoro-3-methyl-3-propan-2-yl-3a,7a-dihydro-1H-indol-2-one has a molecular weight of 209.26 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-fluoro-3-methyl-3-propan-2-yl-3a,7a-dihydro-1H-indol-2-one is sourced from PubChem (CID 166845584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).