tert-butyl-[(2R)-1-(difluoromethoxy)propan-2-yl]carbamic acid

C9H17F2NO3 — CID 122446143

IUPACtert-butyl-[(2R)-1-(difluoromethoxy)propan-2-yl]carbamic acid
SMILESC[C@H](COC(F)F)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C9H17F2NO3/c1-6(5-15-7(10)11)12(8(13)14)9(2,3)4/h6-7H,5H2,1-4H3,(H,13,14)/t6-/m1/s1
InChIKeySKNLBCHWYRJDGZ-ZCFIWIBFSA-N
MW225.23 g/mol
LogP2.39
Rot. Bonds4

About tert-butyl-[(2R)-1-(difluoromethoxy)propan-2-yl]carbamic acid

tert-butyl-[(2R)-1-(difluoromethoxy)propan-2-yl]carbamic acid (PubChem CID 122446143) has the molecular formula C9H17F2NO3 and a molecular weight of 225.23 g/mol. Its IUPAC name is tert-butyl-[(2R)-1-(difluoromethoxy)propan-2-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(2R)-1-(difluoromethoxy)propan-2-yl]carbamic acid
PubChem CID122446143
Molecular FormulaC9H17F2NO3
Molecular Weight225.23 g/mol
Exact Mass225.12
IUPAC Nametert-butyl-[(2R)-1-(difluoromethoxy)propan-2-yl]carbamic acid
SMILESC[C@H](COC(F)F)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C9H17F2NO3/c1-6(5-15-7(10)11)12(8(13)14)9(2,3)4/h6-7H,5H2,1-4H3,(H,13,14)/t6-/m1/s1
InChIKeySKNLBCHWYRJDGZ-ZCFIWIBFSA-N
XLogP2.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-1-(difluoromethoxy)propan-2-yl]carbamic acid?
The IUPAC name of tert-butyl-[(2R)-1-(difluoromethoxy)propan-2-yl]carbamic acid (CID 122446143) is tert-butyl-[(2R)-1-(difluoromethoxy)propan-2-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[(2R)-1-(difluoromethoxy)propan-2-yl]carbamic acid?
The canonical SMILES for tert-butyl-[(2R)-1-(difluoromethoxy)propan-2-yl]carbamic acid is C[C@H](COC(F)F)N(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R)-1-(difluoromethoxy)propan-2-yl]carbamic acid?
The InChIKey is SKNLBCHWYRJDGZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H17F2NO3/c1-6(5-15-7(10)11)12(8(13)14)9(2,3)4/h6-7H,5H2,1-4H3,(H,13,14)/t6-/m1/s1.
What are the key properties of tert-butyl-[(2R)-1-(difluoromethoxy)propan-2-yl]carbamic acid?
tert-butyl-[(2R)-1-(difluoromethoxy)propan-2-yl]carbamic acid has a molecular weight of 225.23 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-1-(difluoromethoxy)propan-2-yl]carbamic acid is sourced from PubChem (CID 122446143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).