(3R,4R)-3-tert-butyl-4-(2-fluorophenyl)oxolane

C14H19FO — CID 130312866

IUPAC(3R,4R)-3-tert-butyl-4-(2-fluorophenyl)oxolane
SMILESCC(C)(C)[C@@H]1COC[C@H]1c1ccccc1F
InChIInChI=1S/C14H19FO/c1-14(2,3)12-9-16-8-11(12)10-6-4-5-7-13(10)15/h4-7,11-12H,8-9H2,1-3H3/t11-,12+/m0/s1
InChIKeyAWEKESMGMGOYOB-NWDGAFQWSA-N
MW222.30 g/mol
LogP3.60
Rot. Bonds1

About (3R,4R)-3-tert-butyl-4-(2-fluorophenyl)oxolane

(3R,4R)-3-tert-butyl-4-(2-fluorophenyl)oxolane (PubChem CID 130312866) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is (3R,4R)-3-tert-butyl-4-(2-fluorophenyl)oxolane.

Molecular Properties

Compound Name(3R,4R)-3-tert-butyl-4-(2-fluorophenyl)oxolane
PubChem CID130312866
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name(3R,4R)-3-tert-butyl-4-(2-fluorophenyl)oxolane
SMILESCC(C)(C)[C@@H]1COC[C@H]1c1ccccc1F
InChIInChI=1S/C14H19FO/c1-14(2,3)12-9-16-8-11(12)10-6-4-5-7-13(10)15/h4-7,11-12H,8-9H2,1-3H3/t11-,12+/m0/s1
InChIKeyAWEKESMGMGOYOB-NWDGAFQWSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-tert-butyl-4-(2-fluorophenyl)oxolane?
The IUPAC name of (3R,4R)-3-tert-butyl-4-(2-fluorophenyl)oxolane (CID 130312866) is (3R,4R)-3-tert-butyl-4-(2-fluorophenyl)oxolane.
What is the SMILES notation for (3R,4R)-3-tert-butyl-4-(2-fluorophenyl)oxolane?
The canonical SMILES for (3R,4R)-3-tert-butyl-4-(2-fluorophenyl)oxolane is CC(C)(C)[C@@H]1COC[C@H]1c1ccccc1F.
What is the InChIKey of (3R,4R)-3-tert-butyl-4-(2-fluorophenyl)oxolane?
The InChIKey is AWEKESMGMGOYOB-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H19FO/c1-14(2,3)12-9-16-8-11(12)10-6-4-5-7-13(10)15/h4-7,11-12H,8-9H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of (3R,4R)-3-tert-butyl-4-(2-fluorophenyl)oxolane?
(3R,4R)-3-tert-butyl-4-(2-fluorophenyl)oxolane has a molecular weight of 222.30 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-tert-butyl-4-(2-fluorophenyl)oxolane is sourced from PubChem (CID 130312866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).