[4-(trifluoromethoxy)phenyl] N-aminocarbamate

C8H7F3N2O3 — CID 143175748

IUPAC[4-(trifluoromethoxy)phenyl] N-aminocarbamate
SMILESNNC(=O)Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H7F3N2O3/c9-8(10,11)16-6-3-1-5(2-4-6)15-7(14)13-12/h1-4H,12H2,(H,13,14)
InChIKeyUVGYFIKRWFMTSN-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.55
Rot. Bonds2

About [4-(trifluoromethoxy)phenyl] N-aminocarbamate

[4-(trifluoromethoxy)phenyl] N-aminocarbamate (PubChem CID 143175748) has the molecular formula C8H7F3N2O3 and a molecular weight of 236.15 g/mol. Its IUPAC name is [4-(trifluoromethoxy)phenyl] N-aminocarbamate.

Molecular Properties

Compound Name[4-(trifluoromethoxy)phenyl] N-aminocarbamate
PubChem CID143175748
Molecular FormulaC8H7F3N2O3
Molecular Weight236.15 g/mol
Exact Mass236.04
IUPAC Name[4-(trifluoromethoxy)phenyl] N-aminocarbamate
SMILESNNC(=O)Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H7F3N2O3/c9-8(10,11)16-6-3-1-5(2-4-6)15-7(14)13-12/h1-4H,12H2,(H,13,14)
InChIKeyUVGYFIKRWFMTSN-UHFFFAOYSA-N
XLogP1.55
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(trifluoromethoxy)phenyl] N-chlorosulfonylcarbamate
CID 116799211
(E)-3-amino-2-hydrazinyl-3-[4-(trifluoromethoxy)phenoxy]prop-2-enoic acid
CID 142618625
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
2-[4-(trifluoromethoxy)phenoxy]acetohydrazide
CID 2777305
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
2-methyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid
CID 141051034
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
1-amino-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 2732842
2,2-bis[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbohydrazide
CID 163323833
CID 59303798
CID 59303798
phosphanyl-[4-(trifluoromethoxy)phenyl]methanone
CID 170761962
formohydrazide;4-(trifluoromethoxy)aniline
CID 175142236

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethoxy)phenyl] N-aminocarbamate?
The IUPAC name of [4-(trifluoromethoxy)phenyl] N-aminocarbamate (CID 143175748) is [4-(trifluoromethoxy)phenyl] N-aminocarbamate.
What is the SMILES notation for [4-(trifluoromethoxy)phenyl] N-aminocarbamate?
The canonical SMILES for [4-(trifluoromethoxy)phenyl] N-aminocarbamate is NNC(=O)Oc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethoxy)phenyl] N-aminocarbamate?
The InChIKey is UVGYFIKRWFMTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O3/c9-8(10,11)16-6-3-1-5(2-4-6)15-7(14)13-12/h1-4H,12H2,(H,13,14).
What are the key properties of [4-(trifluoromethoxy)phenyl] N-aminocarbamate?
[4-(trifluoromethoxy)phenyl] N-aminocarbamate has a molecular weight of 236.15 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethoxy)phenyl] N-aminocarbamate is sourced from PubChem (CID 143175748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).