3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol

C15H16F4O2 — CID 171957131

IUPAC3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol
SMILESOC1(Cc2cc(F)cc(C(F)(F)F)c2)CC2CCC(C1)O2
InChIInChI=1S/C15H16F4O2/c16-11-4-9(3-10(5-11)15(17,18)19)6-14(20)7-12-1-2-13(8-14)21-12/h3-5,12-13,20H,1-2,6-8H2
InChIKeyCZKSDVWDLIPEPM-UHFFFAOYSA-N
MW304.28 g/mol
LogP3.46
Rot. Bonds2

About 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol

3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol (PubChem CID 171957131) has the molecular formula C15H16F4O2 and a molecular weight of 304.28 g/mol. Its IUPAC name is 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol
PubChem CID171957131
Molecular FormulaC15H16F4O2
Molecular Weight304.28 g/mol
Exact Mass304.11
IUPAC Name3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol
SMILESOC1(Cc2cc(F)cc(C(F)(F)F)c2)CC2CCC(C1)O2
InChIInChI=1S/C15H16F4O2/c16-11-4-9(3-10(5-11)15(17,18)19)6-14(20)7-12-1-2-13(8-14)21-12/h3-5,12-13,20H,1-2,6-8H2
InChIKeyCZKSDVWDLIPEPM-UHFFFAOYSA-N
XLogP3.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,5-difluorophenyl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol
CID 171961687
9H-fluoren-9-ylmethyl 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171957128
3-[[2-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol
CID 171964084
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 115282910
3-[3-methoxy-5-(trifluoromethyl)phenyl]-8-oxabicyclo[3.2.1]octan-3-ol
CID 171956932
3-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)benzonitrile
CID 171956682
2-[(3,5-difluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
CID 105410578
3-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 65145739
2-[(3-bromo-5-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79711558
1-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 115282828
4-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclohexan-1-ol
CID 103845476
3-[3-fluoro-5-(trifluoromethyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171963659

Frequently Asked Questions

What is the IUPAC name of 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol (CID 171957131) is 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol is OC1(Cc2cc(F)cc(C(F)(F)F)c2)CC2CCC(C1)O2.
What is the InChIKey of 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol?
The InChIKey is CZKSDVWDLIPEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4O2/c16-11-4-9(3-10(5-11)15(17,18)19)6-14(20)7-12-1-2-13(8-14)21-12/h3-5,12-13,20H,1-2,6-8H2.
What are the key properties of 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol?
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol has a molecular weight of 304.28 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171957131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).