tert-butyl (4S)-4-[(1-fluorocyclohexyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C17H30FNO3 — CID 59201498

IUPACtert-butyl (4S)-4-[(1-fluorocyclohexyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](CC2(F)CCCCC2)COC1(C)C
InChIInChI=1S/C17H30FNO3/c1-15(2,3)22-14(20)19-13(12-21-16(19,4)5)11-17(18)9-7-6-8-10-17/h13H,6-12H2,1-5H3/t13-/m0/s1
InChIKeyVAIKTAVYEPRQKD-ZDUSSCGKSA-N
MW315.43 g/mol
LogP4.42
Rot. Bonds2

About tert-butyl (4S)-4-[(1-fluorocyclohexyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[(1-fluorocyclohexyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 59201498) has the molecular formula C17H30FNO3 and a molecular weight of 315.43 g/mol. Its IUPAC name is tert-butyl (4S)-4-[(1-fluorocyclohexyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[(1-fluorocyclohexyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID59201498
Molecular FormulaC17H30FNO3
Molecular Weight315.43 g/mol
Exact Mass315.22
IUPAC Nametert-butyl (4S)-4-[(1-fluorocyclohexyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](CC2(F)CCCCC2)COC1(C)C
InChIInChI=1S/C17H30FNO3/c1-15(2,3)22-14(20)19-13(12-21-16(19,4)5)11-17(18)9-7-6-8-10-17/h13H,6-12H2,1-5H3/t13-/m0/s1
InChIKeyVAIKTAVYEPRQKD-ZDUSSCGKSA-N
XLogP4.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[(1-fluorocyclohexyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[(1-fluorocyclohexyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 59201498) is tert-butyl (4S)-4-[(1-fluorocyclohexyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[(1-fluorocyclohexyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[(1-fluorocyclohexyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@@H](CC2(F)CCCCC2)COC1(C)C.
What is the InChIKey of tert-butyl (4S)-4-[(1-fluorocyclohexyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is VAIKTAVYEPRQKD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H30FNO3/c1-15(2,3)22-14(20)19-13(12-21-16(19,4)5)11-17(18)9-7-6-8-10-17/h13H,6-12H2,1-5H3/t13-/m0/s1.
What are the key properties of tert-butyl (4S)-4-[(1-fluorocyclohexyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[(1-fluorocyclohexyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 315.43 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[(1-fluorocyclohexyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 59201498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).