[3-(trifluoromethoxy)cyclobutyl]carbamic acid

C6H8F3NO3 — CID 155103735

IUPAC[3-(trifluoromethoxy)cyclobutyl]carbamic acid
SMILESO=C(O)NC1CC(OC(F)(F)F)C1
InChIInChI=1S/C6H8F3NO3/c7-6(8,9)13-4-1-3(2-4)10-5(11)12/h3-4,10H,1-2H2,(H,11,12)
InChIKeyNHAFSVBNYKKUML-UHFFFAOYSA-N
MW199.13 g/mol
LogP1.32
Rot. Bonds2

About [3-(trifluoromethoxy)cyclobutyl]carbamic acid

[3-(trifluoromethoxy)cyclobutyl]carbamic acid (PubChem CID 155103735) has the molecular formula C6H8F3NO3 and a molecular weight of 199.13 g/mol. Its IUPAC name is [3-(trifluoromethoxy)cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[3-(trifluoromethoxy)cyclobutyl]carbamic acid
PubChem CID155103735
Molecular FormulaC6H8F3NO3
Molecular Weight199.13 g/mol
Exact Mass199.05
IUPAC Name[3-(trifluoromethoxy)cyclobutyl]carbamic acid
SMILESO=C(O)NC1CC(OC(F)(F)F)C1
InChIInChI=1S/C6H8F3NO3/c7-6(8,9)13-4-1-3(2-4)10-5(11)12/h3-4,10H,1-2H2,(H,11,12)
InChIKeyNHAFSVBNYKKUML-UHFFFAOYSA-N
XLogP1.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.13
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethoxy)cyclobutyl]carbamic acid?
The IUPAC name of [3-(trifluoromethoxy)cyclobutyl]carbamic acid (CID 155103735) is [3-(trifluoromethoxy)cyclobutyl]carbamic acid.
What is the SMILES notation for [3-(trifluoromethoxy)cyclobutyl]carbamic acid?
The canonical SMILES for [3-(trifluoromethoxy)cyclobutyl]carbamic acid is O=C(O)NC1CC(OC(F)(F)F)C1.
What is the InChIKey of [3-(trifluoromethoxy)cyclobutyl]carbamic acid?
The InChIKey is NHAFSVBNYKKUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO3/c7-6(8,9)13-4-1-3(2-4)10-5(11)12/h3-4,10H,1-2H2,(H,11,12).
What are the key properties of [3-(trifluoromethoxy)cyclobutyl]carbamic acid?
[3-(trifluoromethoxy)cyclobutyl]carbamic acid has a molecular weight of 199.13 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethoxy)cyclobutyl]carbamic acid is sourced from PubChem (CID 155103735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).