(4R)-4-benzyl-3-(5,5-difluorohexanoyl)-1,3-oxazolidin-2-one

C16H19F2NO3 — CID 165345301

IUPAC(4R)-4-benzyl-3-(5,5-difluorohexanoyl)-1,3-oxazolidin-2-one
SMILESCC(F)(F)CCCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C16H19F2NO3/c1-16(17,18)9-5-8-14(20)19-13(11-22-15(19)21)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3/t13-/m1/s1
InChIKeyKOOGTWLWAZUMQE-CYBMUJFWSA-N
MW311.33 g/mol
LogP3.40
Rot. Bonds6

About (4R)-4-benzyl-3-(5,5-difluorohexanoyl)-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-(5,5-difluorohexanoyl)-1,3-oxazolidin-2-one (PubChem CID 165345301) has the molecular formula C16H19F2NO3 and a molecular weight of 311.33 g/mol. Its IUPAC name is (4R)-4-benzyl-3-(5,5-difluorohexanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-(5,5-difluorohexanoyl)-1,3-oxazolidin-2-one
PubChem CID165345301
Molecular FormulaC16H19F2NO3
Molecular Weight311.33 g/mol
Exact Mass311.13
IUPAC Name(4R)-4-benzyl-3-(5,5-difluorohexanoyl)-1,3-oxazolidin-2-one
SMILESCC(F)(F)CCCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C16H19F2NO3/c1-16(17,18)9-5-8-14(20)19-13(11-22-15(19)21)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3/t13-/m1/s1
InChIKeyKOOGTWLWAZUMQE-CYBMUJFWSA-N
XLogP3.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-Phenylhexanoyl) oxazolidin-2-one
CID 101746948
3-[6-(4-Methylphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141138
3-[6-(3-Methylphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141223
3-Oxazolidineacetic acid, 2,5-dioxo-alpha-(2-phenylethyl)-4-[4-[(trifluoroacetyl)amino]butyl]-, ethyl ester, [S-(R*,R*)]-
CID 102269401
(S)-(+)-3-Acetyl-4-benzyl-2-oxazolidinone
CID 735929
(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 2733696
Locostatin
CID 5702600
3-[6-[3-(Trifluoromethyl)phenyl]hexanoyl]-1,3-oxazolidin-2-one
CID 145976181
methyl (2R,5R)-1-acetyl-5-benzyl-2-methyl-2H-pyrrole-5-carboxylate
CID 5459717
2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
4-Benzyl-3-propionyl-1,3-oxazolidine
CID 11842098
3-[5-(4-Fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one
CID 71098231

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-(5,5-difluorohexanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-(5,5-difluorohexanoyl)-1,3-oxazolidin-2-one (CID 165345301) is (4R)-4-benzyl-3-(5,5-difluorohexanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-(5,5-difluorohexanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-(5,5-difluorohexanoyl)-1,3-oxazolidin-2-one is CC(F)(F)CCCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-(5,5-difluorohexanoyl)-1,3-oxazolidin-2-one?
The InChIKey is KOOGTWLWAZUMQE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19F2NO3/c1-16(17,18)9-5-8-14(20)19-13(11-22-15(19)21)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3/t13-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-(5,5-difluorohexanoyl)-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-(5,5-difluorohexanoyl)-1,3-oxazolidin-2-one has a molecular weight of 311.33 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-(5,5-difluorohexanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 165345301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).