5-[cyclohexyl(difluoro)methyl]-3-methyl-1,3-oxazolidin-2-one

C11H17F2NO2 — CID 101432698

IUPAC5-[cyclohexyl(difluoro)methyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1CC(C(F)(F)C2CCCCC2)OC1=O
InChIInChI=1S/C11H17F2NO2/c1-14-7-9(16-10(14)15)11(12,13)8-5-3-2-4-6-8/h8-9H,2-7H2,1H3
InChIKeyWTTUTTNFWDUWHU-UHFFFAOYSA-N
MW233.26 g/mol
LogP2.65
Rot. Bonds2

About 5-[cyclohexyl(difluoro)methyl]-3-methyl-1,3-oxazolidin-2-one

5-[cyclohexyl(difluoro)methyl]-3-methyl-1,3-oxazolidin-2-one (PubChem CID 101432698) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is 5-[cyclohexyl(difluoro)methyl]-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[cyclohexyl(difluoro)methyl]-3-methyl-1,3-oxazolidin-2-one
PubChem CID101432698
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Name5-[cyclohexyl(difluoro)methyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1CC(C(F)(F)C2CCCCC2)OC1=O
InChIInChI=1S/C11H17F2NO2/c1-14-7-9(16-10(14)15)11(12,13)8-5-3-2-4-6-8/h8-9H,2-7H2,1H3
InChIKeyWTTUTTNFWDUWHU-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S,5R)-4-(cyclohexylmethyl)-5-[2-(dimethylamino)-1,1-difluoroethyl]-1,3-oxazolidin-2-one
CID 22847401
(4S)-4-(cyclohexylmethyl)-3-[(1S)-3,3-difluoro-1-hydroxypropyl]-1,3-oxazolidin-2-one
CID 54052496
(4S)-4-(cyclohexylmethyl)-3-(3,3-difluoro-2-oxopropyl)-1,3-oxazolidin-2-one
CID 54063360
(S)-tert-butyl 4-((1-fluorocyclohexyl)methyl)-2,2-dimethyloxazolidine-3-carboxylate
CID 59201498
Tert-butyl 4-[(1-fluorocyclohexyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 68716665
Tert-butyl 2-(cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine-1-carboxylate
CID 70228632
tert-butyl (2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine-1-carboxylate
CID 70228634
tert-butyl (2S)-2-(cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine-1-carboxylate
CID 70228636
(4S)-4-[(1-fluorocyclohexyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 143486936
5-(1,1-Difluorooctyl)-3-methyl-1,3-oxazolidin-2-one
CID 101432699
Tert-butyl 3-[(3,3-difluorocyclohexyl)methoxy]-3-ethylpyrrolidine-1-carboxylate
CID 114224272
tert-butyl N-[(3R)-8,8-difluoro-1-oxaspiro[4.5]decan-3-yl]-N-methylcarbamate
CID 125454699

Frequently Asked Questions

What is the IUPAC name of 5-[cyclohexyl(difluoro)methyl]-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[cyclohexyl(difluoro)methyl]-3-methyl-1,3-oxazolidin-2-one (CID 101432698) is 5-[cyclohexyl(difluoro)methyl]-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[cyclohexyl(difluoro)methyl]-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[cyclohexyl(difluoro)methyl]-3-methyl-1,3-oxazolidin-2-one is CN1CC(C(F)(F)C2CCCCC2)OC1=O.
What is the InChIKey of 5-[cyclohexyl(difluoro)methyl]-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is WTTUTTNFWDUWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c1-14-7-9(16-10(14)15)11(12,13)8-5-3-2-4-6-8/h8-9H,2-7H2,1H3.
What are the key properties of 5-[cyclohexyl(difluoro)methyl]-3-methyl-1,3-oxazolidin-2-one?
5-[cyclohexyl(difluoro)methyl]-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 233.26 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclohexyl(difluoro)methyl]-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101432698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).