(1S,2S)-6-fluoro-2-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol

C15H21FO2 — CID 57283789

IUPAC(1S,2S)-6-fluoro-2-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol
SMILESCC(C)[C@H]1c2ccc(F)cc2CC[C@]1(O)CCO
InChIInChI=1S/C15H21FO2/c1-10(2)14-13-4-3-12(16)9-11(13)5-6-15(14,18)7-8-17/h3-4,9-10,14,17-18H,5-8H2,1-2H3/t14-,15-/m0/s1
InChIKeyNVOJBSMKAUXEDV-GJZGRUSLSA-N
MW252.33 g/mol
LogP2.62
Rot. Bonds3

About (1S,2S)-6-fluoro-2-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol

(1S,2S)-6-fluoro-2-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 57283789) has the molecular formula C15H21FO2 and a molecular weight of 252.33 g/mol. Its IUPAC name is (1S,2S)-6-fluoro-2-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name(1S,2S)-6-fluoro-2-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID57283789
Molecular FormulaC15H21FO2
Molecular Weight252.33 g/mol
Exact Mass252.15
IUPAC Name(1S,2S)-6-fluoro-2-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol
SMILESCC(C)[C@H]1c2ccc(F)cc2CC[C@]1(O)CCO
InChIInChI=1S/C15H21FO2/c1-10(2)14-13-4-3-12(16)9-11(13)5-6-15(14,18)7-8-17/h3-4,9-10,14,17-18H,5-8H2,1-2H3/t14-,15-/m0/s1
InChIKeyNVOJBSMKAUXEDV-GJZGRUSLSA-N
XLogP2.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-6-fluoro-2-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of (1S,2S)-6-fluoro-2-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol (CID 57283789) is (1S,2S)-6-fluoro-2-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for (1S,2S)-6-fluoro-2-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for (1S,2S)-6-fluoro-2-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol is CC(C)[C@H]1c2ccc(F)cc2CC[C@]1(O)CCO.
What is the InChIKey of (1S,2S)-6-fluoro-2-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is NVOJBSMKAUXEDV-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H21FO2/c1-10(2)14-13-4-3-12(16)9-11(13)5-6-15(14,18)7-8-17/h3-4,9-10,14,17-18H,5-8H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of (1S,2S)-6-fluoro-2-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol?
(1S,2S)-6-fluoro-2-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 252.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-6-fluoro-2-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 57283789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).