tert-butyl-[(2R)-2-fluoro-3-hydroxypropyl]carbamic acid

C8H16FNO3 — CID 87932825

IUPACtert-butyl-[(2R)-2-fluoro-3-hydroxypropyl]carbamic acid
SMILESCC(C)(C)N(C[C@@H](F)CO)C(=O)O
InChIInChI=1S/C8H16FNO3/c1-8(2,3)10(7(12)13)4-6(9)5-11/h6,11H,4-5H2,1-3H3,(H,12,13)/t6-/m1/s1
InChIKeyKEUBATKZAAEMSN-ZCFIWIBFSA-N
MW193.22 g/mol
LogP1.10
Rot. Bonds3

About tert-butyl-[(2R)-2-fluoro-3-hydroxypropyl]carbamic acid

tert-butyl-[(2R)-2-fluoro-3-hydroxypropyl]carbamic acid (PubChem CID 87932825) has the molecular formula C8H16FNO3 and a molecular weight of 193.22 g/mol. Its IUPAC name is tert-butyl-[(2R)-2-fluoro-3-hydroxypropyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(2R)-2-fluoro-3-hydroxypropyl]carbamic acid
PubChem CID87932825
Molecular FormulaC8H16FNO3
Molecular Weight193.22 g/mol
Exact Mass193.11
IUPAC Nametert-butyl-[(2R)-2-fluoro-3-hydroxypropyl]carbamic acid
SMILESCC(C)(C)N(C[C@@H](F)CO)C(=O)O
InChIInChI=1S/C8H16FNO3/c1-8(2,3)10(7(12)13)4-6(9)5-11/h6,11H,4-5H2,1-3H3,(H,12,13)/t6-/m1/s1
InChIKeyKEUBATKZAAEMSN-ZCFIWIBFSA-N
XLogP1.10
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-2-fluoro-3-hydroxypropyl]carbamic acid?
The IUPAC name of tert-butyl-[(2R)-2-fluoro-3-hydroxypropyl]carbamic acid (CID 87932825) is tert-butyl-[(2R)-2-fluoro-3-hydroxypropyl]carbamic acid.
What is the SMILES notation for tert-butyl-[(2R)-2-fluoro-3-hydroxypropyl]carbamic acid?
The canonical SMILES for tert-butyl-[(2R)-2-fluoro-3-hydroxypropyl]carbamic acid is CC(C)(C)N(C[C@@H](F)CO)C(=O)O.
What is the InChIKey of tert-butyl-[(2R)-2-fluoro-3-hydroxypropyl]carbamic acid?
The InChIKey is KEUBATKZAAEMSN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H16FNO3/c1-8(2,3)10(7(12)13)4-6(9)5-11/h6,11H,4-5H2,1-3H3,(H,12,13)/t6-/m1/s1.
What are the key properties of tert-butyl-[(2R)-2-fluoro-3-hydroxypropyl]carbamic acid?
tert-butyl-[(2R)-2-fluoro-3-hydroxypropyl]carbamic acid has a molecular weight of 193.22 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-2-fluoro-3-hydroxypropyl]carbamic acid is sourced from PubChem (CID 87932825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).