(3R)-6-fluoro-3-(6-methyl-3,4-dihydronaphthalen-2-yl)-3,4-dihydro-1H-naphthalen-2-one

C21H19FO — CID 118081900

IUPAC(3R)-6-fluoro-3-(6-methyl-3,4-dihydronaphthalen-2-yl)-3,4-dihydro-1H-naphthalen-2-one
SMILESCc1ccc2c(c1)CCC([C@H]1Cc3cc(F)ccc3CC1=O)=C2
InChIInChI=1S/C21H19FO/c1-13-2-3-15-9-17(5-4-14(15)8-13)20-11-18-10-19(22)7-6-16(18)12-21(20)23/h2-3,6-10,20H,4-5,11-12H2,1H3/t20-/m1/s1
InChIKeySYHLGRXEQXVVKW-HXUWFJFHSA-N
MW306.38 g/mol
LogP4.45
Rot. Bonds1

About (3R)-6-fluoro-3-(6-methyl-3,4-dihydronaphthalen-2-yl)-3,4-dihydro-1H-naphthalen-2-one

(3R)-6-fluoro-3-(6-methyl-3,4-dihydronaphthalen-2-yl)-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 118081900) has the molecular formula C21H19FO and a molecular weight of 306.38 g/mol. Its IUPAC name is (3R)-6-fluoro-3-(6-methyl-3,4-dihydronaphthalen-2-yl)-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name(3R)-6-fluoro-3-(6-methyl-3,4-dihydronaphthalen-2-yl)-3,4-dihydro-1H-naphthalen-2-one
PubChem CID118081900
Molecular FormulaC21H19FO
Molecular Weight306.38 g/mol
Exact Mass306.14
IUPAC Name(3R)-6-fluoro-3-(6-methyl-3,4-dihydronaphthalen-2-yl)-3,4-dihydro-1H-naphthalen-2-one
SMILESCc1ccc2c(c1)CCC([C@H]1Cc3cc(F)ccc3CC1=O)=C2
InChIInChI=1S/C21H19FO/c1-13-2-3-15-9-17(5-4-14(15)8-13)20-11-18-10-19(22)7-6-16(18)12-21(20)23/h2-3,6-10,20H,4-5,11-12H2,1H3/t20-/m1/s1
InChIKeySYHLGRXEQXVVKW-HXUWFJFHSA-N
XLogP4.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-fluoro-3-(6-methyl-3,4-dihydronaphthalen-2-yl)-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of (3R)-6-fluoro-3-(6-methyl-3,4-dihydronaphthalen-2-yl)-3,4-dihydro-1H-naphthalen-2-one (CID 118081900) is (3R)-6-fluoro-3-(6-methyl-3,4-dihydronaphthalen-2-yl)-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for (3R)-6-fluoro-3-(6-methyl-3,4-dihydronaphthalen-2-yl)-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for (3R)-6-fluoro-3-(6-methyl-3,4-dihydronaphthalen-2-yl)-3,4-dihydro-1H-naphthalen-2-one is Cc1ccc2c(c1)CCC([C@H]1Cc3cc(F)ccc3CC1=O)=C2.
What is the InChIKey of (3R)-6-fluoro-3-(6-methyl-3,4-dihydronaphthalen-2-yl)-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is SYHLGRXEQXVVKW-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H19FO/c1-13-2-3-15-9-17(5-4-14(15)8-13)20-11-18-10-19(22)7-6-16(18)12-21(20)23/h2-3,6-10,20H,4-5,11-12H2,1H3/t20-/m1/s1.
What are the key properties of (3R)-6-fluoro-3-(6-methyl-3,4-dihydronaphthalen-2-yl)-3,4-dihydro-1H-naphthalen-2-one?
(3R)-6-fluoro-3-(6-methyl-3,4-dihydronaphthalen-2-yl)-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 306.38 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-fluoro-3-(6-methyl-3,4-dihydronaphthalen-2-yl)-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 118081900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).