3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-5-hexyl-1,3-oxazolidin-2-one

C15H21F2NO2 — CID 70250464

IUPAC3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-5-hexyl-1,3-oxazolidin-2-one
SMILESCCCCCCC1CN(C2C=C(F)C=C(F)C2)C(=O)O1
InChIInChI=1S/C15H21F2NO2/c1-2-3-4-5-6-14-10-18(15(19)20-14)13-8-11(16)7-12(17)9-13/h7-8,13-14H,2-6,9-10H2,1H3
InChIKeyVHUSAESDDPCCTN-UHFFFAOYSA-N
MW285.33 g/mol
LogP4.26
Rot. Bonds6

About 3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-5-hexyl-1,3-oxazolidin-2-one

3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-5-hexyl-1,3-oxazolidin-2-one (PubChem CID 70250464) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-5-hexyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-5-hexyl-1,3-oxazolidin-2-one
PubChem CID70250464
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-5-hexyl-1,3-oxazolidin-2-one
SMILESCCCCCCC1CN(C2C=C(F)C=C(F)C2)C(=O)O1
InChIInChI=1S/C15H21F2NO2/c1-2-3-4-5-6-14-10-18(15(19)20-14)13-8-11(16)7-12(17)9-13/h7-8,13-14H,2-6,9-10H2,1H3
InChIKeyVHUSAESDDPCCTN-UHFFFAOYSA-N
XLogP4.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-5-hexyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-5-hexyl-1,3-oxazolidin-2-one (CID 70250464) is 3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-5-hexyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-5-hexyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-5-hexyl-1,3-oxazolidin-2-one is CCCCCCC1CN(C2C=C(F)C=C(F)C2)C(=O)O1.
What is the InChIKey of 3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-5-hexyl-1,3-oxazolidin-2-one?
The InChIKey is VHUSAESDDPCCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-2-3-4-5-6-14-10-18(15(19)20-14)13-8-11(16)7-12(17)9-13/h7-8,13-14H,2-6,9-10H2,1H3.
What are the key properties of 3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-5-hexyl-1,3-oxazolidin-2-one?
3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-5-hexyl-1,3-oxazolidin-2-one has a molecular weight of 285.33 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-5-hexyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 70250464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).