(4S)-4-prop-1-en-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one

C11H14F3NO3 — CID 163522003

IUPAC(4S)-4-prop-1-en-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one
SMILESC=C(C)[C@H]1COC(=O)N1C(=O)CCCC(F)(F)F
InChIInChI=1S/C11H14F3NO3/c1-7(2)8-6-18-10(17)15(8)9(16)4-3-5-11(12,13)14/h8H,1,3-6H2,2H3/t8-/m1/s1
InChIKeyDLQAFDVOXSSYQV-MRVPVSSYSA-N
MW265.23 g/mol
LogP2.64
Rot. Bonds4

About (4S)-4-prop-1-en-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one

(4S)-4-prop-1-en-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one (PubChem CID 163522003) has the molecular formula C11H14F3NO3 and a molecular weight of 265.23 g/mol. Its IUPAC name is (4S)-4-prop-1-en-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-prop-1-en-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one
PubChem CID163522003
Molecular FormulaC11H14F3NO3
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC Name(4S)-4-prop-1-en-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one
SMILESC=C(C)[C@H]1COC(=O)N1C(=O)CCCC(F)(F)F
InChIInChI=1S/C11H14F3NO3/c1-7(2)8-6-18-10(17)15(8)9(16)4-3-5-11(12,13)14/h8H,1,3-6H2,2H3/t8-/m1/s1
InChIKeyDLQAFDVOXSSYQV-MRVPVSSYSA-N
XLogP2.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-benzyl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one
CID 71477692
2,2-dimethyl-4-(5,5,5-trifluoropentanoyl)-6-oxa-4-azaspiro[2.4]heptan-5-one
CID 162564933
(4R)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 139919284
(4S)-3-hept-6-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11053746
(4S)-3-acetyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 130192161
3-heptanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 22490329
ethyl N-(2-oxo-4-prop-1-en-2-yl-1,3-oxazolidin-3-yl)carbamate
CID 132990410
2,2-dimethyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid
CID 118343251
1,5-bis[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentane-1,5-dione
CID 102321018
2-(3,3-difluorobutyl)-6,6,6-trifluoro-3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]hexanoic acid
CID 90083823
(4S)-4-tert-butyl-3-[(3S)-3-methylpent-4-enoyl]-1,3-oxazolidin-2-one
CID 102237784
2-oxo-3-(3,3,3-trifluoropropyl)-1,3-oxazinane-5-carboxylic acid
CID 83851059

Frequently Asked Questions

What is the IUPAC name of (4S)-4-prop-1-en-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-prop-1-en-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one (CID 163522003) is (4S)-4-prop-1-en-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-prop-1-en-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-prop-1-en-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one is C=C(C)[C@H]1COC(=O)N1C(=O)CCCC(F)(F)F.
What is the InChIKey of (4S)-4-prop-1-en-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one?
The InChIKey is DLQAFDVOXSSYQV-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14F3NO3/c1-7(2)8-6-18-10(17)15(8)9(16)4-3-5-11(12,13)14/h8H,1,3-6H2,2H3/t8-/m1/s1.
What are the key properties of (4S)-4-prop-1-en-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one?
(4S)-4-prop-1-en-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one has a molecular weight of 265.23 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-prop-1-en-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 163522003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).