(3R)-3-(4-fluoro-3-methylphenoxy)oxolane

C11H13FO2 — CID 170235553

IUPAC(3R)-3-(4-fluoro-3-methylphenoxy)oxolane
SMILESCc1cc(O[C@@H]2CCOC2)ccc1F
InChIInChI=1S/C11H13FO2/c1-8-6-9(2-3-11(8)12)14-10-4-5-13-7-10/h2-3,6,10H,4-5,7H2,1H3/t10-/m1/s1
InChIKeyAFTFYSICCUSRQR-SNVBAGLBSA-N
MW196.22 g/mol
LogP2.30
Rot. Bonds2

About (3R)-3-(4-fluoro-3-methylphenoxy)oxolane

(3R)-3-(4-fluoro-3-methylphenoxy)oxolane (PubChem CID 170235553) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is (3R)-3-(4-fluoro-3-methylphenoxy)oxolane.

Molecular Properties

Compound Name(3R)-3-(4-fluoro-3-methylphenoxy)oxolane
PubChem CID170235553
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name(3R)-3-(4-fluoro-3-methylphenoxy)oxolane
SMILESCc1cc(O[C@@H]2CCOC2)ccc1F
InChIInChI=1S/C11H13FO2/c1-8-6-9(2-3-11(8)12)14-10-4-5-13-7-10/h2-3,6,10H,4-5,7H2,1H3/t10-/m1/s1
InChIKeyAFTFYSICCUSRQR-SNVBAGLBSA-N
XLogP2.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoro-3-methylphenoxy)oxane
CID 107137923
(3R)-3-(4-bromo-3-methylphenoxy)oxolane
CID 138986690
2-fluoro-4-(oxolan-3-yloxy)benzaldehyde
CID 142441431
4-(4-fluoro-3-methylphenoxy)-1-methylpiperidine
CID 90260319
(3R)-3-(4-iodophenoxy)oxolane
CID 155595271
3-(3-bromo-4-fluorophenoxy)oxane
CID 107134793
(1S)-N-tert-butylsulfanyl-1-[2-fluoro-5-[(3S)-oxolan-3-yl]oxyphenyl]ethanamine
CID 175727682
3-[4-(4-chlorobut-1-ynyl)-3-methylphenoxy]oxolane
CID 83134329
2-methyl-6-(oxolan-3-yloxy)isoquinolin-2-ium
CID 21418206
2-methoxy-4-[(3S)-oxolan-3-yl]oxyaniline
CID 166611371
(R)-N-[(1S)-1-[2-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 169081097
(3S)-3-(4-propan-2-ylphenoxy)oxolane
CID 59112216

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-fluoro-3-methylphenoxy)oxolane?
The IUPAC name of (3R)-3-(4-fluoro-3-methylphenoxy)oxolane (CID 170235553) is (3R)-3-(4-fluoro-3-methylphenoxy)oxolane.
What is the SMILES notation for (3R)-3-(4-fluoro-3-methylphenoxy)oxolane?
The canonical SMILES for (3R)-3-(4-fluoro-3-methylphenoxy)oxolane is Cc1cc(O[C@@H]2CCOC2)ccc1F.
What is the InChIKey of (3R)-3-(4-fluoro-3-methylphenoxy)oxolane?
The InChIKey is AFTFYSICCUSRQR-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13FO2/c1-8-6-9(2-3-11(8)12)14-10-4-5-13-7-10/h2-3,6,10H,4-5,7H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-3-(4-fluoro-3-methylphenoxy)oxolane?
(3R)-3-(4-fluoro-3-methylphenoxy)oxolane has a molecular weight of 196.22 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-fluoro-3-methylphenoxy)oxolane is sourced from PubChem (CID 170235553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).