(1R,3R,7S,9S)-9-[(2-fluorophenyl)methoxy]-1-methyl-2-oxatricyclo[4.3.1.03,7]decane

C17H21FO2 — CID 67835937

IUPAC(1R,3R,7S,9S)-9-[(2-fluorophenyl)methoxy]-1-methyl-2-oxatricyclo[4.3.1.03,7]decane
SMILESC[C@]12CC3CC[C@@H](O1)[C@H]3C[C@@H]2OCc1ccccc1F
InChIInChI=1S/C17H21FO2/c1-17-9-11-6-7-15(20-17)13(11)8-16(17)19-10-12-4-2-3-5-14(12)18/h2-5,11,13,15-16H,6-10H2,1H3/t11?,13-,15+,16-,17+/m0/s1
InChIKeyZHCAVASVSGIISA-FSNINGBJSA-N
MW276.35 g/mol
LogP3.69
Rot. Bonds3

About (1R,3R,7S,9S)-9-[(2-fluorophenyl)methoxy]-1-methyl-2-oxatricyclo[4.3.1.03,7]decane

(1R,3R,7S,9S)-9-[(2-fluorophenyl)methoxy]-1-methyl-2-oxatricyclo[4.3.1.03,7]decane (PubChem CID 67835937) has the molecular formula C17H21FO2 and a molecular weight of 276.35 g/mol. Its IUPAC name is (1R,3R,7S,9S)-9-[(2-fluorophenyl)methoxy]-1-methyl-2-oxatricyclo[4.3.1.03,7]decane.

Molecular Properties

Compound Name(1R,3R,7S,9S)-9-[(2-fluorophenyl)methoxy]-1-methyl-2-oxatricyclo[4.3.1.03,7]decane
PubChem CID67835937
Molecular FormulaC17H21FO2
Molecular Weight276.35 g/mol
Exact Mass276.15
IUPAC Name(1R,3R,7S,9S)-9-[(2-fluorophenyl)methoxy]-1-methyl-2-oxatricyclo[4.3.1.03,7]decane
SMILESC[C@]12CC3CC[C@@H](O1)[C@H]3C[C@@H]2OCc1ccccc1F
InChIInChI=1S/C17H21FO2/c1-17-9-11-6-7-15(20-17)13(11)8-16(17)19-10-12-4-2-3-5-14(12)18/h2-5,11,13,15-16H,6-10H2,1H3/t11?,13-,15+,16-,17+/m0/s1
InChIKeyZHCAVASVSGIISA-FSNINGBJSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,7S,9S)-9-[(2-fluorophenyl)methoxy]-1-methyl-2-oxatricyclo[4.3.1.03,7]decane?
The IUPAC name of (1R,3R,7S,9S)-9-[(2-fluorophenyl)methoxy]-1-methyl-2-oxatricyclo[4.3.1.03,7]decane (CID 67835937) is (1R,3R,7S,9S)-9-[(2-fluorophenyl)methoxy]-1-methyl-2-oxatricyclo[4.3.1.03,7]decane.
What is the SMILES notation for (1R,3R,7S,9S)-9-[(2-fluorophenyl)methoxy]-1-methyl-2-oxatricyclo[4.3.1.03,7]decane?
The canonical SMILES for (1R,3R,7S,9S)-9-[(2-fluorophenyl)methoxy]-1-methyl-2-oxatricyclo[4.3.1.03,7]decane is C[C@]12CC3CC[C@@H](O1)[C@H]3C[C@@H]2OCc1ccccc1F.
What is the InChIKey of (1R,3R,7S,9S)-9-[(2-fluorophenyl)methoxy]-1-methyl-2-oxatricyclo[4.3.1.03,7]decane?
The InChIKey is ZHCAVASVSGIISA-FSNINGBJSA-N. The full InChI is InChI=1S/C17H21FO2/c1-17-9-11-6-7-15(20-17)13(11)8-16(17)19-10-12-4-2-3-5-14(12)18/h2-5,11,13,15-16H,6-10H2,1H3/t11?,13-,15+,16-,17+/m0/s1.
What are the key properties of (1R,3R,7S,9S)-9-[(2-fluorophenyl)methoxy]-1-methyl-2-oxatricyclo[4.3.1.03,7]decane?
(1R,3R,7S,9S)-9-[(2-fluorophenyl)methoxy]-1-methyl-2-oxatricyclo[4.3.1.03,7]decane has a molecular weight of 276.35 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,7S,9S)-9-[(2-fluorophenyl)methoxy]-1-methyl-2-oxatricyclo[4.3.1.03,7]decane is sourced from PubChem (CID 67835937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).