(2S)-2-ethyl-2-fluoro-3,4-dihydronaphthalen-1-one

C12H13FO — CID 10774110

IUPAC(2S)-2-ethyl-2-fluoro-3,4-dihydronaphthalen-1-one
SMILESCC[C@]1(F)CCc2ccccc2C1=O
InChIInChI=1S/C12H13FO/c1-2-12(13)8-7-9-5-3-4-6-10(9)11(12)14/h3-6H,2,7-8H2,1H3/t12-/m0/s1
InChIKeyGSAIDSAOUXZFIA-LBPRGKRZSA-N
MW192.23 g/mol
LogP2.93
Rot. Bonds1

About (2S)-2-ethyl-2-fluoro-3,4-dihydronaphthalen-1-one

(2S)-2-ethyl-2-fluoro-3,4-dihydronaphthalen-1-one (PubChem CID 10774110) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is (2S)-2-ethyl-2-fluoro-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2S)-2-ethyl-2-fluoro-3,4-dihydronaphthalen-1-one
PubChem CID10774110
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name(2S)-2-ethyl-2-fluoro-3,4-dihydronaphthalen-1-one
SMILESCC[C@]1(F)CCc2ccccc2C1=O
InChIInChI=1S/C12H13FO/c1-2-12(13)8-7-9-5-3-4-6-10(9)11(12)14/h3-6H,2,7-8H2,1H3/t12-/m0/s1
InChIKeyGSAIDSAOUXZFIA-LBPRGKRZSA-N
XLogP2.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-one
CID 10777325
(2S)-2-[(4-chlorophenyl)methyl]-2-fluoro-3,4-dihydronaphthalen-1-one
CID 135054407
(2S)-2-[2,2-bis(benzenesulfonyl)ethyl]-2-fluoro-3,4-dihydronaphthalen-1-one
CID 134962241
2-fluoro-2-(2-methylpropyl)-3H-inden-1-one
CID 59717541
(2R)-2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one
CID 14120941
2-(hydroxymethyl)-2-methyl-3,4-dihydronaphthalen-1-one
CID 11344499
2,2-diethyl-4H-naphthalene-1,3-dione
CID 173029100
(2S,3'R)-3'-propylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 134964852
(2S)-2-methyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
CID 45096682
1'-methylspiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one
CID 10263215
9,10-dihydrophenanthrene;ethane
CID 143759681
2-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one;hydrochloride
CID 13316612

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-2-fluoro-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2S)-2-ethyl-2-fluoro-3,4-dihydronaphthalen-1-one (CID 10774110) is (2S)-2-ethyl-2-fluoro-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2S)-2-ethyl-2-fluoro-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2S)-2-ethyl-2-fluoro-3,4-dihydronaphthalen-1-one is CC[C@]1(F)CCc2ccccc2C1=O.
What is the InChIKey of (2S)-2-ethyl-2-fluoro-3,4-dihydronaphthalen-1-one?
The InChIKey is GSAIDSAOUXZFIA-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H13FO/c1-2-12(13)8-7-9-5-3-4-6-10(9)11(12)14/h3-6H,2,7-8H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-2-ethyl-2-fluoro-3,4-dihydronaphthalen-1-one?
(2S)-2-ethyl-2-fluoro-3,4-dihydronaphthalen-1-one has a molecular weight of 192.23 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-2-fluoro-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 10774110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).