2-[(1S,2S)-6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl]acetic acid

C15H19FO3 — CID 11043707

IUPAC2-[(1S,2S)-6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl]acetic acid
SMILESCC(C)[C@H]1c2ccc(F)cc2CC[C@]1(O)CC(=O)O
InChIInChI=1S/C15H19FO3/c1-9(2)14-12-4-3-11(16)7-10(12)5-6-15(14,19)8-13(17)18/h3-4,7,9,14,19H,5-6,8H2,1-2H3,(H,17,18)/t14-,15-/m0/s1
InChIKeyORDSHKYTXGHNQZ-GJZGRUSLSA-N
MW266.31 g/mol
LogP2.72
Rot. Bonds3

About 2-[(1S,2S)-6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl]acetic acid

2-[(1S,2S)-6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl]acetic acid (PubChem CID 11043707) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-[(1S,2S)-6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(1S,2S)-6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl]acetic acid
PubChem CID11043707
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name2-[(1S,2S)-6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl]acetic acid
SMILESCC(C)[C@H]1c2ccc(F)cc2CC[C@]1(O)CC(=O)O
InChIInChI=1S/C15H19FO3/c1-9(2)14-12-4-3-11(16)7-10(12)5-6-15(14,19)8-13(17)18/h3-4,7,9,14,19H,5-6,8H2,1-2H3,(H,17,18)/t14-,15-/m0/s1
InChIKeyORDSHKYTXGHNQZ-GJZGRUSLSA-N
XLogP2.72
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl]acetic acid?
The IUPAC name of 2-[(1S,2S)-6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl]acetic acid (CID 11043707) is 2-[(1S,2S)-6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl]acetic acid.
What is the SMILES notation for 2-[(1S,2S)-6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl]acetic acid?
The canonical SMILES for 2-[(1S,2S)-6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl]acetic acid is CC(C)[C@H]1c2ccc(F)cc2CC[C@]1(O)CC(=O)O.
What is the InChIKey of 2-[(1S,2S)-6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl]acetic acid?
The InChIKey is ORDSHKYTXGHNQZ-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H19FO3/c1-9(2)14-12-4-3-11(16)7-10(12)5-6-15(14,19)8-13(17)18/h3-4,7,9,14,19H,5-6,8H2,1-2H3,(H,17,18)/t14-,15-/m0/s1.
What are the key properties of 2-[(1S,2S)-6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl]acetic acid?
2-[(1S,2S)-6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl]acetic acid has a molecular weight of 266.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl]acetic acid is sourced from PubChem (CID 11043707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).