(1S,5R)-3-benzyl-6,8-dioxabicyclo[3.2.1]octan-4-ol;fluoromethane

C14H19FO3 — CID 142549107

IUPAC(1S,5R)-3-benzyl-6,8-dioxabicyclo[3.2.1]octan-4-ol;fluoromethane
SMILESCF.OC1C(Cc2ccccc2)C[C@H]2CO[C@@H]1O2
InChIInChI=1S/C13H16O3.CH3F/c14-12-10(6-9-4-2-1-3-5-9)7-11-8-15-13(12)16-11;1-2/h1-5,10-14H,6-8H2;1H3/t10?,11-,12?,13+;/m0./s1
InChIKeyWYBRDDVDFBNADX-DOLRKMKKSA-N
MW254.30 g/mol
LogP1.94
Rot. Bonds2

About (1S,5R)-3-benzyl-6,8-dioxabicyclo[3.2.1]octan-4-ol;fluoromethane

(1S,5R)-3-benzyl-6,8-dioxabicyclo[3.2.1]octan-4-ol;fluoromethane (PubChem CID 142549107) has the molecular formula C14H19FO3 and a molecular weight of 254.30 g/mol. Its IUPAC name is (1S,5R)-3-benzyl-6,8-dioxabicyclo[3.2.1]octan-4-ol;fluoromethane.

Molecular Properties

Compound Name(1S,5R)-3-benzyl-6,8-dioxabicyclo[3.2.1]octan-4-ol;fluoromethane
PubChem CID142549107
Molecular FormulaC14H19FO3
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name(1S,5R)-3-benzyl-6,8-dioxabicyclo[3.2.1]octan-4-ol;fluoromethane
SMILESCF.OC1C(Cc2ccccc2)C[C@H]2CO[C@@H]1O2
InChIInChI=1S/C13H16O3.CH3F/c14-12-10(6-9-4-2-1-3-5-9)7-11-8-15-13(12)16-11;1-2/h1-5,10-14H,6-8H2;1H3/t10?,11-,12?,13+;/m0./s1
InChIKeyWYBRDDVDFBNADX-DOLRKMKKSA-N
XLogP1.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,5R)-3-[(2-methylphenyl)methyl]-6,8-dioxabicyclo[3.2.1]octan-4-ol;1,2-xylene
CID 142549121
4-benzyloxolan-3-ol
CID 14785279
(2S,4S,5S)-5-benzyl-2-(trimethylsilylmethyl)oxan-4-ol
CID 15856891
(2S,3S)-3-benzyloxolan-2-ol
CID 86339403
N-[(2-benzylcyclopropyl)methyl]ethanamine
CID 62703862
(2-benzylcyclopropyl)methanamine
CID 56605942
(1S,2R,4S)-2-benzyl-7,7-dimethylcycloheptane-1,4-diol
CID 102291844
potassium [(1S,2S)-2-benzylcyclopropyl]-trifluoroboranuide
CID 23711838
potassium [(1R,2S)-2-benzylcyclopropyl]-trifluoroboranuide
CID 157032718
(1S,2S,4S)-4-amino-2-benzylcyclopentan-1-ol
CID 166640244
5-benzyl-4-methyl-1,3-dioxane
CID 12704146
(1S,4S)-2,5-dibenzylbicyclo[2.2.1]heptane
CID 101446934

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-benzyl-6,8-dioxabicyclo[3.2.1]octan-4-ol;fluoromethane?
The IUPAC name of (1S,5R)-3-benzyl-6,8-dioxabicyclo[3.2.1]octan-4-ol;fluoromethane (CID 142549107) is (1S,5R)-3-benzyl-6,8-dioxabicyclo[3.2.1]octan-4-ol;fluoromethane.
What is the SMILES notation for (1S,5R)-3-benzyl-6,8-dioxabicyclo[3.2.1]octan-4-ol;fluoromethane?
The canonical SMILES for (1S,5R)-3-benzyl-6,8-dioxabicyclo[3.2.1]octan-4-ol;fluoromethane is CF.OC1C(Cc2ccccc2)C[C@H]2CO[C@@H]1O2.
What is the InChIKey of (1S,5R)-3-benzyl-6,8-dioxabicyclo[3.2.1]octan-4-ol;fluoromethane?
The InChIKey is WYBRDDVDFBNADX-DOLRKMKKSA-N. The full InChI is InChI=1S/C13H16O3.CH3F/c14-12-10(6-9-4-2-1-3-5-9)7-11-8-15-13(12)16-11;1-2/h1-5,10-14H,6-8H2;1H3/t10?,11-,12?,13+;/m0./s1.
What are the key properties of (1S,5R)-3-benzyl-6,8-dioxabicyclo[3.2.1]octan-4-ol;fluoromethane?
(1S,5R)-3-benzyl-6,8-dioxabicyclo[3.2.1]octan-4-ol;fluoromethane has a molecular weight of 254.30 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-benzyl-6,8-dioxabicyclo[3.2.1]octan-4-ol;fluoromethane is sourced from PubChem (CID 142549107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).