4-fluoro-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

C11H11FO2 — CID 22261528

IUPAC4-fluoro-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
SMILESO=C(O)c1ccc(F)c2c1CCCC2
InChIInChI=1S/C11H11FO2/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h5-6H,1-4H2,(H,13,14)
InChIKeySQVJXORWLJZXCC-UHFFFAOYSA-N
MW194.21 g/mol
LogP2.40
Rot. Bonds1

About 4-fluoro-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

4-fluoro-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid (PubChem CID 22261528) has the molecular formula C11H11FO2 and a molecular weight of 194.21 g/mol. Its IUPAC name is 4-fluoro-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
PubChem CID22261528
Molecular FormulaC11H11FO2
Molecular Weight194.21 g/mol
Exact Mass194.07
IUPAC Name4-fluoro-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
SMILESO=C(O)c1ccc(F)c2c1CCCC2
InChIInChI=1S/C11H11FO2/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h5-6H,1-4H2,(H,13,14)
InChIKeySQVJXORWLJZXCC-UHFFFAOYSA-N
XLogP2.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dihydro-1H-indene-4,7-dicarboxylic acid;terephthalic acid
CID 69347798
amino 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate
CID 146174041
4-ethenyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 130282207
5-fluoro-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid
CID 154740370
1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 22993784
4-(4-carboxyphenoxy)-5,6,7,8,9,10-hexahydrobenzo[8]annulene-1-carboxylic acid
CID 66748674
7-(benzylamino)-4-fluoro-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 59987037
2-(cyclopropylmethylsulfonyl)-5-fluoro-3,4-dihydro-1H-isoquinoline-8-carboxylic acid
CID 167761776
bicyclo[12.4.0]octadeca-1(18),14,16-triene-15,18-dicarboxamide
CID 54033082
1,2,3,4-tetrahydroquinoline-5,8-dicarboxylic acid
CID 58753408
(7-fluoro-2,3-dihydro-1H-inden-4-yl)-morpholin-2-ylmethanone
CID 174513546
2,3-dihydro-1H-indene-4,5-dicarboxylic acid
CID 22035348

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The IUPAC name of 4-fluoro-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid (CID 22261528) is 4-fluoro-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid.
What is the SMILES notation for 4-fluoro-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The canonical SMILES for 4-fluoro-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid is O=C(O)c1ccc(F)c2c1CCCC2.
What is the InChIKey of 4-fluoro-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The InChIKey is SQVJXORWLJZXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h5-6H,1-4H2,(H,13,14).
What are the key properties of 4-fluoro-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
4-fluoro-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid has a molecular weight of 194.21 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 22261528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).