tert-butyl 2-fluoromorpholine-4-carboxylate

C9H16FNO3 — CID 138987700

IUPACtert-butyl 2-fluoromorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(F)C1
InChIInChI=1S/C9H16FNO3/c1-9(2,3)14-8(12)11-4-5-13-7(10)6-11/h7H,4-6H2,1-3H3
InChIKeyKVBZCCSCBQDFIL-UHFFFAOYSA-N
MW205.23 g/mol
LogP1.55
Rot. Bonds

About tert-butyl 2-fluoromorpholine-4-carboxylate

tert-butyl 2-fluoromorpholine-4-carboxylate (PubChem CID 138987700) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is tert-butyl 2-fluoromorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-fluoromorpholine-4-carboxylate
PubChem CID138987700
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Nametert-butyl 2-fluoromorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(F)C1
InChIInChI=1S/C9H16FNO3/c1-9(2,3)14-8(12)11-4-5-13-7(10)6-11/h7H,4-6H2,1-3H3
InChIKeyKVBZCCSCBQDFIL-UHFFFAOYSA-N
XLogP1.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl Morpholine-4-carboxylate
CID 11435389
Tert-butyl 3-methylmorpholine-4-carboxylate
CID 57960413
Propan-2-yl morpholine-4-carboxylate
CID 238165
Tert-butyl 2-(difluoromethyl)morpholine-4-carboxylate
CID 68848269
[2-(2-Fluoro-ethoxy)-ethyl]-methyl-carbamic acid tert-butyl ester
CID 86657900
Ethyl 3-fluoromorpholine-4-carboxylate
CID 90422258
tert-butyl N-[4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-N-methylcarbamate
CID 91488981
Tert-butyl 2-(trifluoromethyl)morpholine-4-carboxylate
CID 119106367
Tert-butyl 2-(fluoromethyl)morpholine-4-carboxylate
CID 121254774
(S)-Tert-butyl 2-(fluoromethyl)morpholine-4-carboxylate
CID 121254775
Tert-butyl 3-(difluoromethoxymethyl)morpholine-4-carboxylate
CID 122487542
tert-butyl (3R)-3-(difluoromethoxymethyl)morpholine-4-carboxylate
CID 122487543

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-fluoromorpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-fluoromorpholine-4-carboxylate (CID 138987700) is tert-butyl 2-fluoromorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-fluoromorpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-fluoromorpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(F)C1.
What is the InChIKey of tert-butyl 2-fluoromorpholine-4-carboxylate?
The InChIKey is KVBZCCSCBQDFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO3/c1-9(2,3)14-8(12)11-4-5-13-7(10)6-11/h7H,4-6H2,1-3H3.
What are the key properties of tert-butyl 2-fluoromorpholine-4-carboxylate?
tert-butyl 2-fluoromorpholine-4-carboxylate has a molecular weight of 205.23 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-fluoromorpholine-4-carboxylate is sourced from PubChem (CID 138987700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).