3-[(1S,2R,3S,4S)-3-fluoro-2-phenyl-4-(2,2,2-trifluoroethyl)cyclohexanecarbonyl]-1,3-oxazolidin-2-one

C18H19F4NO3 — CID 134838673

IUPAC3-[(1S,2R,3S,4S)-3-fluoro-2-phenyl-4-(2,2,2-trifluoroethyl)cyclohexanecarbonyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)[C@H]1CC[C@@H](CC(F)(F)F)[C@H](F)[C@H]1c1ccccc1
InChIInChI=1S/C18H19F4NO3/c19-15-12(10-18(20,21)22)6-7-13(14(15)11-4-2-1-3-5-11)16(24)23-8-9-26-17(23)25/h1-5,12-15H,6-10H2/t12-,13-,14-,15-/m0/s1
InChIKeyCNONRIUSNGQEIK-AJNGGQMLSA-N
MW373.35 g/mol
LogP4.07
Rot. Bonds3

About 3-[(1S,2R,3S,4S)-3-fluoro-2-phenyl-4-(2,2,2-trifluoroethyl)cyclohexanecarbonyl]-1,3-oxazolidin-2-one

3-[(1S,2R,3S,4S)-3-fluoro-2-phenyl-4-(2,2,2-trifluoroethyl)cyclohexanecarbonyl]-1,3-oxazolidin-2-one (PubChem CID 134838673) has the molecular formula C18H19F4NO3 and a molecular weight of 373.35 g/mol. Its IUPAC name is 3-[(1S,2R,3S,4S)-3-fluoro-2-phenyl-4-(2,2,2-trifluoroethyl)cyclohexanecarbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(1S,2R,3S,4S)-3-fluoro-2-phenyl-4-(2,2,2-trifluoroethyl)cyclohexanecarbonyl]-1,3-oxazolidin-2-one
PubChem CID134838673
Molecular FormulaC18H19F4NO3
Molecular Weight373.35 g/mol
Exact Mass373.13
IUPAC Name3-[(1S,2R,3S,4S)-3-fluoro-2-phenyl-4-(2,2,2-trifluoroethyl)cyclohexanecarbonyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)[C@H]1CC[C@@H](CC(F)(F)F)[C@H](F)[C@H]1c1ccccc1
InChIInChI=1S/C18H19F4NO3/c19-15-12(10-18(20,21)22)6-7-13(14(15)11-4-2-1-3-5-11)16(24)23-8-9-26-17(23)25/h1-5,12-15H,6-10H2/t12-,13-,14-,15-/m0/s1
InChIKeyCNONRIUSNGQEIK-AJNGGQMLSA-N
XLogP4.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(1S,2R,3S,4S)-3-fluoro-2-phenyl-4-(2,2,2-trifluoroethyl)cyclohexanecarbonyl]-1,3-oxazolidin-2-one with MolForge

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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-[6-[3-(Trifluoromethyl)phenyl]hexanoyl]-1,3-oxazolidin-2-one
CID 145976181
3-[5-(4-Fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one
CID 71098231
3-[6-(3-Fluorophenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141210
3-[6-(3-Iodophenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 145965726
3-[6-[4-(Trifluoromethyl)phenyl]hexanoyl]-1,3-oxazolidin-2-one
CID 145970283
3-[6-(6-Fluoronaphthalen-2-yl)hexanoyl]-1,3-oxazolidin-2-one
CID 132155638
3-(6-Naphthalen-2-ylhexanoyl)-1,3-oxazolidin-2-one
CID 132141179
(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one
CID 132155630
3-[6-(4-Iodophenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 145968019

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2R,3S,4S)-3-fluoro-2-phenyl-4-(2,2,2-trifluoroethyl)cyclohexanecarbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(1S,2R,3S,4S)-3-fluoro-2-phenyl-4-(2,2,2-trifluoroethyl)cyclohexanecarbonyl]-1,3-oxazolidin-2-one (CID 134838673) is 3-[(1S,2R,3S,4S)-3-fluoro-2-phenyl-4-(2,2,2-trifluoroethyl)cyclohexanecarbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(1S,2R,3S,4S)-3-fluoro-2-phenyl-4-(2,2,2-trifluoroethyl)cyclohexanecarbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(1S,2R,3S,4S)-3-fluoro-2-phenyl-4-(2,2,2-trifluoroethyl)cyclohexanecarbonyl]-1,3-oxazolidin-2-one is O=C1OCCN1C(=O)[C@H]1CC[C@@H](CC(F)(F)F)[C@H](F)[C@H]1c1ccccc1.
What is the InChIKey of 3-[(1S,2R,3S,4S)-3-fluoro-2-phenyl-4-(2,2,2-trifluoroethyl)cyclohexanecarbonyl]-1,3-oxazolidin-2-one?
The InChIKey is CNONRIUSNGQEIK-AJNGGQMLSA-N. The full InChI is InChI=1S/C18H19F4NO3/c19-15-12(10-18(20,21)22)6-7-13(14(15)11-4-2-1-3-5-11)16(24)23-8-9-26-17(23)25/h1-5,12-15H,6-10H2/t12-,13-,14-,15-/m0/s1.
What are the key properties of 3-[(1S,2R,3S,4S)-3-fluoro-2-phenyl-4-(2,2,2-trifluoroethyl)cyclohexanecarbonyl]-1,3-oxazolidin-2-one?
3-[(1S,2R,3S,4S)-3-fluoro-2-phenyl-4-(2,2,2-trifluoroethyl)cyclohexanecarbonyl]-1,3-oxazolidin-2-one has a molecular weight of 373.35 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2R,3S,4S)-3-fluoro-2-phenyl-4-(2,2,2-trifluoroethyl)cyclohexanecarbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134838673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).