5-fluoro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid

C17H13FO2 — CID 115057863

IUPAC5-fluoro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid
SMILESO=C(O)C1=C(c2ccccc2)c2cccc(F)c2CC1
InChIInChI=1S/C17H13FO2/c18-15-8-4-7-13-12(15)9-10-14(17(19)20)16(13)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,20)
InChIKeyNZDHEBVIWVQNBH-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.66
Rot. Bonds2

About 5-fluoro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid

5-fluoro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid (PubChem CID 115057863) has the molecular formula C17H13FO2 and a molecular weight of 268.29 g/mol. Its IUPAC name is 5-fluoro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid
PubChem CID115057863
Molecular FormulaC17H13FO2
Molecular Weight268.29 g/mol
Exact Mass268.09
IUPAC Name5-fluoro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid
SMILESO=C(O)C1=C(c2ccccc2)c2cccc(F)c2CC1
InChIInChI=1S/C17H13FO2/c18-15-8-4-7-13-12(15)9-10-14(17(19)20)16(13)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,20)
InChIKeyNZDHEBVIWVQNBH-UHFFFAOYSA-N
XLogP3.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057864
5-methoxy-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057866
1-tert-butyl-5-fluoro-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057882
2-(2-fluorophenyl)cyclopentene-1-carboxylic acid
CID 130861385
2-(5-fluoro-1-oxo-3,4-dihydroisoquinolin-2-yl)acetic acid
CID 82127963
8-fluoro-4-methyl-2H-chromene-3-carboxylic acid
CID 84722572
1-[3-(2-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid
CID 83549721
5-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 105496008
2-benzoyl-4-fluoro-2,3-dihydroinden-1-one
CID 83066498
3-phenyl-1H-indene-2-carboxylate
CID 23222406
3,5-difluoro-4-(2-fluorophenyl)benzoic acid
CID 170919050
2,6-difluoro-4-(2-fluorophenyl)benzoic acid
CID 46312128

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid?
The IUPAC name of 5-fluoro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid (CID 115057863) is 5-fluoro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 5-fluoro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid?
The canonical SMILES for 5-fluoro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid is O=C(O)C1=C(c2ccccc2)c2cccc(F)c2CC1.
What is the InChIKey of 5-fluoro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid?
The InChIKey is NZDHEBVIWVQNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO2/c18-15-8-4-7-13-12(15)9-10-14(17(19)20)16(13)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,20).
What are the key properties of 5-fluoro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid?
5-fluoro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid has a molecular weight of 268.29 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 115057863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).