tert-butyl-[2-(trifluoromethoxy)phenyl]carbamic acid

C12H14F3NO3 — CID 154035668

IUPACtert-butyl-[2-(trifluoromethoxy)phenyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H14F3NO3/c1-11(2,3)16(10(17)18)8-6-4-5-7-9(8)19-12(13,14)15/h4-7H,1-3H3,(H,17,18)
InChIKeyFZRYPQZIYPRCJP-UHFFFAOYSA-N
MW277.24 g/mol
LogP3.87
Rot. Bonds2

About tert-butyl-[2-(trifluoromethoxy)phenyl]carbamic acid

tert-butyl-[2-(trifluoromethoxy)phenyl]carbamic acid (PubChem CID 154035668) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is tert-butyl-[2-(trifluoromethoxy)phenyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[2-(trifluoromethoxy)phenyl]carbamic acid
PubChem CID154035668
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Nametert-butyl-[2-(trifluoromethoxy)phenyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H14F3NO3/c1-11(2,3)16(10(17)18)8-6-4-5-7-9(8)19-12(13,14)15/h4-7H,1-3H3,(H,17,18)
InChIKeyFZRYPQZIYPRCJP-UHFFFAOYSA-N
XLogP3.87
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-aminophenyl)-tert-butylcarbamic acid
CID 66632268
N,N-dimethyl-2-(trifluoromethoxy)benzamide
CID 133060382
2,2,3,3,4,4-hexafluoro-5-oxo-5-[2-(trifluoromethoxy)phenyl]pentanoic acid
CID 146004605
2-(dimethylamino)-1-[2-(trifluoromethoxy)phenyl]ethanone
CID 79018019
2-chloro-N,N-dimethyl-2-[2-(trifluoromethoxy)phenyl]acetamide
CID 62225529
(2S)-2-[2-(trifluoromethoxy)phenoxy]propanoic acid
CID 103338212
2-methyl-3-[2-(trifluoromethoxy)phenyl]butanoic acid
CID 81008606
1-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 62787433
2-[N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-(trifluoromethoxy)anilino]-3,3-dimethylbutanoic acid
CID 57019043
2-[ethyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-methylpropanoic acid
CID 65061764
2-hydroxy-2-phenyl-2-[2-(trifluoromethoxy)phenyl]acetamide
CID 139932194
methyl 2-[2-(trifluoromethoxy)anilino]acetate
CID 28577783

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(trifluoromethoxy)phenyl]carbamic acid?
The IUPAC name of tert-butyl-[2-(trifluoromethoxy)phenyl]carbamic acid (CID 154035668) is tert-butyl-[2-(trifluoromethoxy)phenyl]carbamic acid.
What is the SMILES notation for tert-butyl-[2-(trifluoromethoxy)phenyl]carbamic acid?
The canonical SMILES for tert-butyl-[2-(trifluoromethoxy)phenyl]carbamic acid is CC(C)(C)N(C(=O)O)c1ccccc1OC(F)(F)F.
What is the InChIKey of tert-butyl-[2-(trifluoromethoxy)phenyl]carbamic acid?
The InChIKey is FZRYPQZIYPRCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-11(2,3)16(10(17)18)8-6-4-5-7-9(8)19-12(13,14)15/h4-7H,1-3H3,(H,17,18).
What are the key properties of tert-butyl-[2-(trifluoromethoxy)phenyl]carbamic acid?
tert-butyl-[2-(trifluoromethoxy)phenyl]carbamic acid has a molecular weight of 277.24 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(trifluoromethoxy)phenyl]carbamic acid is sourced from PubChem (CID 154035668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).