1-[(1R,2S)-6-fluoro-1-propan-2-yl-2-propyl-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxypropan-2-one

C20H29FO2 — CID 118951921

IUPAC1-[(1R,2S)-6-fluoro-1-propan-2-yl-2-propyl-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxypropan-2-one
SMILESCCC[C@@]1(CC(=O)COC)CCc2cc(F)ccc2[C@@H]1C(C)C
InChIInChI=1S/C20H29FO2/c1-5-9-20(12-17(22)13-23-4)10-8-15-11-16(21)6-7-18(15)19(20)14(2)3/h6-7,11,14,19H,5,8-10,12-13H2,1-4H3/t19-,20-/m0/s1
InChIKeyWJNNAMISUYFFHT-PMACEKPBSA-N
MW320.45 g/mol
LogP4.90
Rot. Bonds7

About 1-[(1R,2S)-6-fluoro-1-propan-2-yl-2-propyl-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxypropan-2-one

1-[(1R,2S)-6-fluoro-1-propan-2-yl-2-propyl-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxypropan-2-one (PubChem CID 118951921) has the molecular formula C20H29FO2 and a molecular weight of 320.45 g/mol. Its IUPAC name is 1-[(1R,2S)-6-fluoro-1-propan-2-yl-2-propyl-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-[(1R,2S)-6-fluoro-1-propan-2-yl-2-propyl-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxypropan-2-one
PubChem CID118951921
Molecular FormulaC20H29FO2
Molecular Weight320.45 g/mol
Exact Mass320.22
IUPAC Name1-[(1R,2S)-6-fluoro-1-propan-2-yl-2-propyl-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxypropan-2-one
SMILESCCC[C@@]1(CC(=O)COC)CCc2cc(F)ccc2[C@@H]1C(C)C
InChIInChI=1S/C20H29FO2/c1-5-9-20(12-17(22)13-23-4)10-8-15-11-16(21)6-7-18(15)19(20)14(2)3/h6-7,11,14,19H,5,8-10,12-13H2,1-4H3/t19-,20-/m0/s1
InChIKeyWJNNAMISUYFFHT-PMACEKPBSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(1R,2S)-6-fluoro-1-propan-2-yl-2-propyl-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxypropan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-6-fluoro-1-propan-2-yl-2-propyl-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxypropan-2-one?
The IUPAC name of 1-[(1R,2S)-6-fluoro-1-propan-2-yl-2-propyl-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxypropan-2-one (CID 118951921) is 1-[(1R,2S)-6-fluoro-1-propan-2-yl-2-propyl-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxypropan-2-one.
What is the SMILES notation for 1-[(1R,2S)-6-fluoro-1-propan-2-yl-2-propyl-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxypropan-2-one?
The canonical SMILES for 1-[(1R,2S)-6-fluoro-1-propan-2-yl-2-propyl-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxypropan-2-one is CCC[C@@]1(CC(=O)COC)CCc2cc(F)ccc2[C@@H]1C(C)C.
What is the InChIKey of 1-[(1R,2S)-6-fluoro-1-propan-2-yl-2-propyl-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxypropan-2-one?
The InChIKey is WJNNAMISUYFFHT-PMACEKPBSA-N. The full InChI is InChI=1S/C20H29FO2/c1-5-9-20(12-17(22)13-23-4)10-8-15-11-16(21)6-7-18(15)19(20)14(2)3/h6-7,11,14,19H,5,8-10,12-13H2,1-4H3/t19-,20-/m0/s1.
What are the key properties of 1-[(1R,2S)-6-fluoro-1-propan-2-yl-2-propyl-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxypropan-2-one?
1-[(1R,2S)-6-fluoro-1-propan-2-yl-2-propyl-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxypropan-2-one has a molecular weight of 320.45 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-6-fluoro-1-propan-2-yl-2-propyl-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxypropan-2-one is sourced from PubChem (CID 118951921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).