4-(3,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one

C11H17F2NO2 — CID 175066951

IUPAC4-(3,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one
SMILESCCCCCN1C(=O)OCC1CC=C(F)F
InChIInChI=1S/C11H17F2NO2/c1-2-3-4-7-14-9(5-6-10(12)13)8-16-11(14)15/h6,9H,2-5,7-8H2,1H3
InChIKeyCZUVRBQKYOQKSY-UHFFFAOYSA-N
MW233.26 g/mol
LogP3.17
Rot. Bonds6

About 4-(3,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one

4-(3,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one (PubChem CID 175066951) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is 4-(3,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(3,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one
PubChem CID175066951
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Name4-(3,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one
SMILESCCCCCN1C(=O)OCC1CC=C(F)F
InChIInChI=1S/C11H17F2NO2/c1-2-3-4-7-14-9(5-6-10(12)13)8-16-11(14)15/h6,9H,2-5,7-8H2,1H3
InChIKeyCZUVRBQKYOQKSY-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 53.17
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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Related Compounds

(4R)-3-but-3-enyl-4-(1,1-difluorobut-3-enyl)-1,3-oxazolidin-2-one
CID 11195600
(4R)-4-(1,1-difluorobut-3-enyl)-3-prop-2-enyl-1,3-oxazolidin-2-one
CID 11310481
butyl (4S)-4-(2,2-difluoroethenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 169181716
4-(1,3-Difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one
CID 175066952
(4R,5R)-5-methyl-3-pent-4-enyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 101807711
(4S)-3-hex-5-enyl-4-methyl-1,3-oxazolidin-2-one
CID 117766501
(4R)-3-hex-5-enyl-4-methyl-1,3-oxazolidin-2-one
CID 117766533
5-Methyl-3-pent-4-enyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 123744849

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-(3,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one (CID 175066951) is 4-(3,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(3,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(3,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one is CCCCCN1C(=O)OCC1CC=C(F)F.
What is the InChIKey of 4-(3,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one?
The InChIKey is CZUVRBQKYOQKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c1-2-3-4-7-14-9(5-6-10(12)13)8-16-11(14)15/h6,9H,2-5,7-8H2,1H3.
What are the key properties of 4-(3,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one?
4-(3,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one has a molecular weight of 233.26 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 175066951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).