6-fluoro-6-methyl-7,8-dihydro-5H-naphthalene-2-carboxylic acid

C12H13FO2 — CID 84675953

IUPAC6-fluoro-6-methyl-7,8-dihydro-5H-naphthalene-2-carboxylic acid
SMILESCC1(F)CCc2cc(C(=O)O)ccc2C1
InChIInChI=1S/C12H13FO2/c1-12(13)5-4-8-6-9(11(14)15)2-3-10(8)7-12/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyLNRFCLJKPRRBTR-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.60
Rot. Bonds1

About 6-fluoro-6-methyl-7,8-dihydro-5H-naphthalene-2-carboxylic acid

6-fluoro-6-methyl-7,8-dihydro-5H-naphthalene-2-carboxylic acid (PubChem CID 84675953) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 6-fluoro-6-methyl-7,8-dihydro-5H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-6-methyl-7,8-dihydro-5H-naphthalene-2-carboxylic acid
PubChem CID84675953
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name6-fluoro-6-methyl-7,8-dihydro-5H-naphthalene-2-carboxylic acid
SMILESCC1(F)CCc2cc(C(=O)O)ccc2C1
InChIInChI=1S/C12H13FO2/c1-12(13)5-4-8-6-9(11(14)15)2-3-10(8)7-12/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyLNRFCLJKPRRBTR-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,2,2-tetramethyl-3H-indene-5-carboxylic acid
CID 67941852
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid
CID 163567467
8,8-difluoro-6,7-dihydro-5H-naphthalene-2-carboxylic acid
CID 84678898
(6R)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid
CID 122616298
5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulene-3-carboxylic acid
CID 18989995
1,1-dimethyl-3H-2-benzofuran-5-carboxylic acid
CID 59509474
2,2-dimethyl-1,3-dihydroindole-5-carboxylic acid
CID 57324652
8-methyl-8-propan-2-yl-6,7-dihydro-5H-naphthalene-2-carboxylic acid
CID 170601628
3-[(2-methylpropan-2-yl)oxycarbonyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylic acid
CID 19381592
(2R)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1',5-dicarboxylic acid
CID 138707641
potassium (5-carboxy-2-methanidyl-1,3-dihydroindene-2-carbonyl)azanide
CID 59027888
(6R)-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxylic acid
CID 122616466

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6-methyl-7,8-dihydro-5H-naphthalene-2-carboxylic acid?
The IUPAC name of 6-fluoro-6-methyl-7,8-dihydro-5H-naphthalene-2-carboxylic acid (CID 84675953) is 6-fluoro-6-methyl-7,8-dihydro-5H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-6-methyl-7,8-dihydro-5H-naphthalene-2-carboxylic acid?
The canonical SMILES for 6-fluoro-6-methyl-7,8-dihydro-5H-naphthalene-2-carboxylic acid is CC1(F)CCc2cc(C(=O)O)ccc2C1.
What is the InChIKey of 6-fluoro-6-methyl-7,8-dihydro-5H-naphthalene-2-carboxylic acid?
The InChIKey is LNRFCLJKPRRBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-12(13)5-4-8-6-9(11(14)15)2-3-10(8)7-12/h2-3,6H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 6-fluoro-6-methyl-7,8-dihydro-5H-naphthalene-2-carboxylic acid?
6-fluoro-6-methyl-7,8-dihydro-5H-naphthalene-2-carboxylic acid has a molecular weight of 208.23 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-methyl-7,8-dihydro-5H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 84675953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).