(2S)-2-[(4-chlorophenyl)methyl]-2-fluoro-3,4-dihydronaphthalen-1-one

C17H14ClFO — CID 135054407

IUPAC(2S)-2-[(4-chlorophenyl)methyl]-2-fluoro-3,4-dihydronaphthalen-1-one
SMILESO=C1c2ccccc2CC[C@]1(F)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H14ClFO/c18-14-7-5-12(6-8-14)11-17(19)10-9-13-3-1-2-4-15(13)16(17)20/h1-8H,9-11H2/t17-/m0/s1
InChIKeyUDNQEZQYCAKLAY-KRWDZBQOSA-N
MW288.75 g/mol
LogP4.42
Rot. Bonds2

About (2S)-2-[(4-chlorophenyl)methyl]-2-fluoro-3,4-dihydronaphthalen-1-one

(2S)-2-[(4-chlorophenyl)methyl]-2-fluoro-3,4-dihydronaphthalen-1-one (PubChem CID 135054407) has the molecular formula C17H14ClFO and a molecular weight of 288.75 g/mol. Its IUPAC name is (2S)-2-[(4-chlorophenyl)methyl]-2-fluoro-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2S)-2-[(4-chlorophenyl)methyl]-2-fluoro-3,4-dihydronaphthalen-1-one
PubChem CID135054407
Molecular FormulaC17H14ClFO
Molecular Weight288.75 g/mol
Exact Mass288.07
IUPAC Name(2S)-2-[(4-chlorophenyl)methyl]-2-fluoro-3,4-dihydronaphthalen-1-one
SMILESO=C1c2ccccc2CC[C@]1(F)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H14ClFO/c18-14-7-5-12(6-8-14)11-17(19)10-9-13-3-1-2-4-15(13)16(17)20/h1-8H,9-11H2/t17-/m0/s1
InChIKeyUDNQEZQYCAKLAY-KRWDZBQOSA-N
XLogP4.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S)-2-[(4-chlorophenyl)methyl]-2-fluoro-3,4-dihydronaphthalen-1-one with MolForge

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

Launch Full Analysis

Related Compounds

2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-one
CID 10777325
(2S)-2-ethyl-2-fluoro-3,4-dihydronaphthalen-1-one
CID 10774110
(2S,3'S)-3'-(4-chlorophenyl)spiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 6933126
(2S)-2-[2,2-bis(benzenesulfonyl)ethyl]-2-fluoro-3,4-dihydronaphthalen-1-one
CID 134962241
2-(4-chlorophenyl)sulfanyl-2-fluoro-3H-inden-1-one
CID 86212326
2-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]indene-1,3-dione
CID 1337308
6-fluoro-6-(2,2,2-trifluoro-1,1-dihydroxyethyl)-8,9-dihydro-7H-benzo[7]annulen-5-one
CID 135073257
1-[(4-chlorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid
CID 65409313
2-fluoro-2-(2-methylpropyl)-3H-inden-1-one
CID 59717541
1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 63402869
(2S,3'R)-3'-propylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 134964852
2-fluoro-1-oxo-N-phenyl-3,4-dihydronaphthalene-2-carboxamide
CID 154665120

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chlorophenyl)methyl]-2-fluoro-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2S)-2-[(4-chlorophenyl)methyl]-2-fluoro-3,4-dihydronaphthalen-1-one (CID 135054407) is (2S)-2-[(4-chlorophenyl)methyl]-2-fluoro-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2S)-2-[(4-chlorophenyl)methyl]-2-fluoro-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2S)-2-[(4-chlorophenyl)methyl]-2-fluoro-3,4-dihydronaphthalen-1-one is O=C1c2ccccc2CC[C@]1(F)Cc1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-[(4-chlorophenyl)methyl]-2-fluoro-3,4-dihydronaphthalen-1-one?
The InChIKey is UDNQEZQYCAKLAY-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H14ClFO/c18-14-7-5-12(6-8-14)11-17(19)10-9-13-3-1-2-4-15(13)16(17)20/h1-8H,9-11H2/t17-/m0/s1.
What are the key properties of (2S)-2-[(4-chlorophenyl)methyl]-2-fluoro-3,4-dihydronaphthalen-1-one?
(2S)-2-[(4-chlorophenyl)methyl]-2-fluoro-3,4-dihydronaphthalen-1-one has a molecular weight of 288.75 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chlorophenyl)methyl]-2-fluoro-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 135054407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).