5-chloro-3-(fluoromethyl)-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid

C13H12ClFO2 — CID 142920475

IUPAC5-chloro-3-(fluoromethyl)-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid
SMILESCc1cc(Cl)c2c(c1)C=C(C(=O)O)C(CF)C2
InChIInChI=1S/C13H12ClFO2/c1-7-2-8-4-11(13(16)17)9(6-15)5-10(8)12(14)3-7/h2-4,9H,5-6H2,1H3,(H,16,17)
InChIKeyGOKPVGCYJZQZHF-UHFFFAOYSA-N
MW254.69 g/mol
LogP3.26
Rot. Bonds2

About 5-chloro-3-(fluoromethyl)-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid

5-chloro-3-(fluoromethyl)-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid (PubChem CID 142920475) has the molecular formula C13H12ClFO2 and a molecular weight of 254.69 g/mol. Its IUPAC name is 5-chloro-3-(fluoromethyl)-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-(fluoromethyl)-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid
PubChem CID142920475
Molecular FormulaC13H12ClFO2
Molecular Weight254.69 g/mol
Exact Mass254.05
IUPAC Name5-chloro-3-(fluoromethyl)-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid
SMILESCc1cc(Cl)c2c(c1)C=C(C(=O)O)C(CF)C2
InChIInChI=1S/C13H12ClFO2/c1-7-2-8-4-11(13(16)17)9(6-15)5-10(8)12(14)3-7/h2-4,9H,5-6H2,1H3,(H,16,17)
InChIKeyGOKPVGCYJZQZHF-UHFFFAOYSA-N
XLogP3.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-chloro-2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane
CID 142913088
6,8-dichloro-2-fluoro-2H-chromene-3-carboxylic acid;fluoroethane
CID 142190519
6,8-dichloro-2-(1,2-difluoroethyl)-2H-chromene-3-carboxylic acid;ethane
CID 142848529
8-bromo-6-methyl-2-(1,1,2-trifluoroethyl)-2H-chromene-3-carboxylic acid
CID 142976588
(2R)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 11533484
fluoroethane;2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane
CID 142959151
6-chloro-7-[(3-chloro-2-methoxy-5-methylphenyl)methyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934614
1-[1-(2-chloro-4-methylphenyl)piperidin-4-yl]propan-1-one
CID 70992327
8-chloro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylic acid
CID 71731734
4-chloro-6-methyl-1,3-benzothiazole-2-carboxylic acid
CID 82373317
(1R,2R)-4-chloro-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol
CID 129411299
(1R,2S)-4-chloro-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol
CID 129411297

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(fluoromethyl)-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid?
The IUPAC name of 5-chloro-3-(fluoromethyl)-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid (CID 142920475) is 5-chloro-3-(fluoromethyl)-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 5-chloro-3-(fluoromethyl)-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid?
The canonical SMILES for 5-chloro-3-(fluoromethyl)-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid is Cc1cc(Cl)c2c(c1)C=C(C(=O)O)C(CF)C2.
What is the InChIKey of 5-chloro-3-(fluoromethyl)-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid?
The InChIKey is GOKPVGCYJZQZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFO2/c1-7-2-8-4-11(13(16)17)9(6-15)5-10(8)12(14)3-7/h2-4,9H,5-6H2,1H3,(H,16,17).
What are the key properties of 5-chloro-3-(fluoromethyl)-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid?
5-chloro-3-(fluoromethyl)-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid has a molecular weight of 254.69 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(fluoromethyl)-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 142920475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).