(5S)-5-(2-fluorophenyl)oxolan-2-one

C10H9FO2 — CID 124642839

IUPAC(5S)-5-(2-fluorophenyl)oxolan-2-one
SMILESO=C1CC[C@@H](c2ccccc2F)O1
InChIInChI=1S/C10H9FO2/c11-8-4-2-1-3-7(8)9-5-6-10(12)13-9/h1-4,9H,5-6H2/t9-/m0/s1
InChIKeyAMIZIQPVECOFLY-VIFPVBQESA-N
MW180.18 g/mol
LogP2.20
Rot. Bonds1

About (5S)-5-(2-fluorophenyl)oxolan-2-one

(5S)-5-(2-fluorophenyl)oxolan-2-one (PubChem CID 124642839) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is (5S)-5-(2-fluorophenyl)oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-(2-fluorophenyl)oxolan-2-one
PubChem CID124642839
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name(5S)-5-(2-fluorophenyl)oxolan-2-one
SMILESO=C1CC[C@@H](c2ccccc2F)O1
InChIInChI=1S/C10H9FO2/c11-8-4-2-1-3-7(8)9-5-6-10(12)13-9/h1-4,9H,5-6H2/t9-/m0/s1
InChIKeyAMIZIQPVECOFLY-VIFPVBQESA-N
XLogP2.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Allyl phenylacetate
CID 15717
Benzyl phenylacetate
CID 60999
Benzyl butyrate
CID 7650
1-Phenylethyl propionate
CID 8432
Benzyl hexanoate
CID 23367
1-Phenylethyl Acetate
CID 62341
Isopropyl Benzoate
CID 13654
1-Phenylethyl 2-methylpropanoate
CID 569214
alpha-Methylbenzyl butyrate
CID 570574
Benzyl laurate
CID 8791
Benzyl pentanoate
CID 82584
1-Phenylpropyl butyrate
CID 61447

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-fluorophenyl)oxolan-2-one?
The IUPAC name of (5S)-5-(2-fluorophenyl)oxolan-2-one (CID 124642839) is (5S)-5-(2-fluorophenyl)oxolan-2-one.
What is the SMILES notation for (5S)-5-(2-fluorophenyl)oxolan-2-one?
The canonical SMILES for (5S)-5-(2-fluorophenyl)oxolan-2-one is O=C1CC[C@@H](c2ccccc2F)O1.
What is the InChIKey of (5S)-5-(2-fluorophenyl)oxolan-2-one?
The InChIKey is AMIZIQPVECOFLY-VIFPVBQESA-N. The full InChI is InChI=1S/C10H9FO2/c11-8-4-2-1-3-7(8)9-5-6-10(12)13-9/h1-4,9H,5-6H2/t9-/m0/s1.
What are the key properties of (5S)-5-(2-fluorophenyl)oxolan-2-one?
(5S)-5-(2-fluorophenyl)oxolan-2-one has a molecular weight of 180.18 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-fluorophenyl)oxolan-2-one is sourced from PubChem (CID 124642839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).