tert-butyl N-[4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-N-methylcarbamate

C13H24F2N2O3 — CID 91488981

IUPACtert-butyl N-[4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CN(C(CF)CF)CCO1
InChIInChI=1S/C13H24F2N2O3/c1-13(2,3)20-12(18)16(4)11-9-17(5-6-19-11)10(7-14)8-15/h10-11H,5-9H2,1-4H3
InChIKeyCDOYVEKKMZNDSC-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.82
Rot. Bonds4

About tert-butyl N-[4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-N-methylcarbamate

tert-butyl N-[4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-N-methylcarbamate (PubChem CID 91488981) has the molecular formula C13H24F2N2O3 and a molecular weight of 294.34 g/mol. Its IUPAC name is tert-butyl N-[4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-N-methylcarbamate
PubChem CID91488981
Molecular FormulaC13H24F2N2O3
Molecular Weight294.34 g/mol
Exact Mass294.18
IUPAC Nametert-butyl N-[4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CN(C(CF)CF)CCO1
InChIInChI=1S/C13H24F2N2O3/c1-13(2,3)20-12(18)16(4)11-9-17(5-6-19-11)10(7-14)8-15/h10-11H,5-9H2,1-4H3
InChIKeyCDOYVEKKMZNDSC-UHFFFAOYSA-N
XLogP1.82
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl 3-cyanomorpholine-4-carboxylate
CID 21098190
3-Aminomethyl-4-boc-morpholine
CID 44182325
Tert-butyl 3-methylmorpholine-4-carboxylate
CID 57960413
(R)-N-Boc-3-cyanomorpholine
CID 44182326
Tert-butyl 2-fluoromorpholine-4-carboxylate
CID 138987700
Tert-butyl 5-(aminomethyl)-2-(trifluoromethyl)morpholine-4-carboxylate
CID 155973732
2-Diethylaminoethyl 4-isopropylpiperazine-1-carboxylate
CID 515543
2-(Diisopropylamino)ethyl 4-methylpiperazine-1-carboxylate
CID 515559
1-Azetidinecarboxylic acid, 3-(4-morpholinyl)-, 1,1-dimethylethyl ester
CID 67343295
tert-butyl (2R)-2-methyl-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazine-1-carboxylate
CID 121515816
(S)-tert-Butyl 3-(aminomethyl)morpholine-4-carboxylate
CID 44182324
tert-butyl (2S,5R)-2,5-dimethyl-4-(3,3,3-trifluoropropyl)piperazine-1-carboxylate
CID 66696101

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-N-methylcarbamate (CID 91488981) is tert-butyl N-[4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1CN(C(CF)CF)CCO1.
What is the InChIKey of tert-butyl N-[4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-N-methylcarbamate?
The InChIKey is CDOYVEKKMZNDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O3/c1-13(2,3)20-12(18)16(4)11-9-17(5-6-19-11)10(7-14)8-15/h10-11H,5-9H2,1-4H3.
What are the key properties of tert-butyl N-[4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-N-methylcarbamate?
tert-butyl N-[4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-N-methylcarbamate has a molecular weight of 294.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-N-methylcarbamate is sourced from PubChem (CID 91488981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).