tert-butyl formate;(4,4-difluoropiperidin-1-yl)-(2,2-dimethyl-1,3-oxazolidin-4-yl)methanone

C16H28F2N2O4 — CID 175263316

IUPACtert-butyl formate;(4,4-difluoropiperidin-1-yl)-(2,2-dimethyl-1,3-oxazolidin-4-yl)methanone
SMILESCC(C)(C)OC=O.CC1(C)NC(C(=O)N2CCC(F)(F)CC2)CO1
InChIInChI=1S/C11H18F2N2O2.C5H10O2/c1-10(2)14-8(7-17-10)9(16)15-5-3-11(12,13)4-6-15;1-5(2,3)7-4-6/h8,14H,3-7H2,1-2H3;4H,1-3H3
InChIKeyMHNJNBLLMBNMNY-UHFFFAOYSA-N
MW350.41 g/mol
LogP1.93
Rot. Bonds2

About tert-butyl formate;(4,4-difluoropiperidin-1-yl)-(2,2-dimethyl-1,3-oxazolidin-4-yl)methanone

tert-butyl formate;(4,4-difluoropiperidin-1-yl)-(2,2-dimethyl-1,3-oxazolidin-4-yl)methanone (PubChem CID 175263316) has the molecular formula C16H28F2N2O4 and a molecular weight of 350.41 g/mol. Its IUPAC name is tert-butyl formate;(4,4-difluoropiperidin-1-yl)-(2,2-dimethyl-1,3-oxazolidin-4-yl)methanone.

Molecular Properties

Compound Nametert-butyl formate;(4,4-difluoropiperidin-1-yl)-(2,2-dimethyl-1,3-oxazolidin-4-yl)methanone
PubChem CID175263316
Molecular FormulaC16H28F2N2O4
Molecular Weight350.41 g/mol
Exact Mass350.20
IUPAC Nametert-butyl formate;(4,4-difluoropiperidin-1-yl)-(2,2-dimethyl-1,3-oxazolidin-4-yl)methanone
SMILESCC(C)(C)OC=O.CC1(C)NC(C(=O)N2CCC(F)(F)CC2)CO1
InChIInChI=1S/C11H18F2N2O2.C5H10O2/c1-10(2)14-8(7-17-10)9(16)15-5-3-11(12,13)4-6-15;1-5(2,3)7-4-6/h8,14H,3-7H2,1-2H3;4H,1-3H3
InChIKeyMHNJNBLLMBNMNY-UHFFFAOYSA-N
XLogP1.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 4-[[1-(2,2-difluoroethyl)piperidin-4-yl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 72131710
tert-butyl (4S)-4-(4,4-difluoropiperidine-1-carbonyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 25054427
(4S)-4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidin-2-one
CID 25054432
(4,4-difluoropiperidin-1-yl)-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanone
CID 68719945
(4S)-4-[(3R,4S)-3-fluoro-4-methoxypiperidine-1-carbonyl]-1,3-oxazolidin-2-one
CID 121265392
(4S)-4-[(3R,4S)-4-ethoxy-3-fluoropiperidine-1-carbonyl]-1,3-oxazolidin-2-one
CID 135291697
(4S)-4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1,3-oxazolidin-2-one
CID 135291715
tert-butyl N-[(2R)-1-[(2S,4R)-2-methyl-4-(trifluoromethoxy)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 178126449
tert-butyl N-[(2R)-1-[(2R,3R)-2-methyl-3-(trifluoromethoxy)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 178127737
tert-butyl N-[(2R)-1-[(2R,4R)-2-methyl-4-(trifluoromethoxy)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 178127817
tert-butyl N-[(2R)-1-[(2R,3S)-2-methyl-3-(trifluoromethoxy)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 178127885
tert-butyl N-[(2R)-1-[(2S,4S)-2-methyl-4-(trifluoromethoxy)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 178127923

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;(4,4-difluoropiperidin-1-yl)-(2,2-dimethyl-1,3-oxazolidin-4-yl)methanone?
The IUPAC name of tert-butyl formate;(4,4-difluoropiperidin-1-yl)-(2,2-dimethyl-1,3-oxazolidin-4-yl)methanone (CID 175263316) is tert-butyl formate;(4,4-difluoropiperidin-1-yl)-(2,2-dimethyl-1,3-oxazolidin-4-yl)methanone.
What is the SMILES notation for tert-butyl formate;(4,4-difluoropiperidin-1-yl)-(2,2-dimethyl-1,3-oxazolidin-4-yl)methanone?
The canonical SMILES for tert-butyl formate;(4,4-difluoropiperidin-1-yl)-(2,2-dimethyl-1,3-oxazolidin-4-yl)methanone is CC(C)(C)OC=O.CC1(C)NC(C(=O)N2CCC(F)(F)CC2)CO1.
What is the InChIKey of tert-butyl formate;(4,4-difluoropiperidin-1-yl)-(2,2-dimethyl-1,3-oxazolidin-4-yl)methanone?
The InChIKey is MHNJNBLLMBNMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O2.C5H10O2/c1-10(2)14-8(7-17-10)9(16)15-5-3-11(12,13)4-6-15;1-5(2,3)7-4-6/h8,14H,3-7H2,1-2H3;4H,1-3H3.
What are the key properties of tert-butyl formate;(4,4-difluoropiperidin-1-yl)-(2,2-dimethyl-1,3-oxazolidin-4-yl)methanone?
tert-butyl formate;(4,4-difluoropiperidin-1-yl)-(2,2-dimethyl-1,3-oxazolidin-4-yl)methanone has a molecular weight of 350.41 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;(4,4-difluoropiperidin-1-yl)-(2,2-dimethyl-1,3-oxazolidin-4-yl)methanone is sourced from PubChem (CID 175263316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).