1-cyclohexyl-7-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

C17H21FO2 — CID 115057986

IUPAC1-cyclohexyl-7-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)C1CCc2ccc(F)cc2C1C1CCCCC1
InChIInChI=1S/C17H21FO2/c18-13-8-6-11-7-9-14(17(19)20)16(15(11)10-13)12-4-2-1-3-5-12/h6,8,10,12,14,16H,1-5,7,9H2,(H,19,20)
InChIKeyTWADBZYFYMLSAA-UHFFFAOYSA-N
MW276.35 g/mol
LogP4.14
Rot. Bonds2

About 1-cyclohexyl-7-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

1-cyclohexyl-7-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 115057986) has the molecular formula C17H21FO2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 1-cyclohexyl-7-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-7-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
PubChem CID115057986
Molecular FormulaC17H21FO2
Molecular Weight276.35 g/mol
Exact Mass276.15
IUPAC Name1-cyclohexyl-7-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)C1CCc2ccc(F)cc2C1C1CCCCC1
InChIInChI=1S/C17H21FO2/c18-13-8-6-11-7-9-14(17(19)20)16(15(11)10-13)12-4-2-1-3-5-12/h6,8,10,12,14,16H,1-5,7,9H2,(H,19,20)
InChIKeyTWADBZYFYMLSAA-UHFFFAOYSA-N
XLogP4.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057981
1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057978
(1-cyclohexyl-7-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 115057911
7-fluoro-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 115026714
6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057049
7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride
CID 66523703
1-cyclopentyl-5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115058091
2-(5-fluoro-2-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 82782977
2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxylic acid
CID 91368656
7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057019
3-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]propanoic acid
CID 122012602
4-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid
CID 122033746

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-7-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 1-cyclohexyl-7-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (CID 115057986) is 1-cyclohexyl-7-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-7-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-7-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is O=C(O)C1CCc2ccc(F)cc2C1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-7-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is TWADBZYFYMLSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FO2/c18-13-8-6-11-7-9-14(17(19)20)16(15(11)10-13)12-4-2-1-3-5-12/h6,8,10,12,14,16H,1-5,7,9H2,(H,19,20).
What are the key properties of 1-cyclohexyl-7-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
1-cyclohexyl-7-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 276.35 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-7-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 115057986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).