8-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

C12H13FO2 — CID 115056927

IUPAC8-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESCC1c2c(F)cccc2CCC1C(=O)O
InChIInChI=1S/C12H13FO2/c1-7-9(12(14)15)6-5-8-3-2-4-10(13)11(7)8/h2-4,7,9H,5-6H2,1H3,(H,14,15)
InChIKeyJBUGPIHNFQUPKY-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.58
Rot. Bonds1

About 8-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

8-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 115056927) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 8-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
PubChem CID115056927
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name8-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESCC1c2c(F)cccc2CCC1C(=O)O
InChIInChI=1S/C12H13FO2/c1-7-9(12(14)15)6-5-8-3-2-4-10(13)11(7)8/h2-4,7,9H,5-6H2,1H3,(H,14,15)
InChIKeyJBUGPIHNFQUPKY-UHFFFAOYSA-N
XLogP2.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-7-fluoro-1-methyl-2,3-dihydro-1H-indene
CID 89205877
6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057049
trans-(1R,2R)-2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid
CID 93299333
2-(2,6-difluorophenyl)cyclopentane-1-carboxylic acid
CID 81008993
2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid
CID 105479060
7-fluoro-2,3-dihydro-1H-inden-1-amine
CID 58440160
[(1S,2R)-1-carbamoyloxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate
CID 134294908
7-chloro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057000
2-(2-chloro-6-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid
CID 63379163
(1S)-7-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 124547289
7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057019
5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid
CID 59125395

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 8-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (CID 115056927) is 8-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 8-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 8-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is CC1c2c(F)cccc2CCC1C(=O)O.
What is the InChIKey of 8-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is JBUGPIHNFQUPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-7-9(12(14)15)6-5-8-3-2-4-10(13)11(7)8/h2-4,7,9H,5-6H2,1H3,(H,14,15).
What are the key properties of 8-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
8-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 208.23 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 115056927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).