benzyl N-[4-(trifluoromethoxy)phenyl]carbamate

C15H12F3NO3 — CID 134102882

IUPACbenzyl N-[4-(trifluoromethoxy)phenyl]carbamate
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)OCc1ccccc1
InChIInChI=1S/C15H12F3NO3/c16-15(17,18)22-13-8-6-12(7-9-13)19-14(20)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20)
InChIKeyCWMBZLMWSQFUGN-UHFFFAOYSA-N
MW311.26 g/mol
LogP4.33
Rot. Bonds4

About benzyl N-[4-(trifluoromethoxy)phenyl]carbamate

benzyl N-[4-(trifluoromethoxy)phenyl]carbamate (PubChem CID 134102882) has the molecular formula C15H12F3NO3 and a molecular weight of 311.26 g/mol. Its IUPAC name is benzyl N-[4-(trifluoromethoxy)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(trifluoromethoxy)phenyl]carbamate
PubChem CID134102882
Molecular FormulaC15H12F3NO3
Molecular Weight311.26 g/mol
Exact Mass311.08
IUPAC Namebenzyl N-[4-(trifluoromethoxy)phenyl]carbamate
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)OCc1ccccc1
InChIInChI=1S/C15H12F3NO3/c16-15(17,18)22-13-8-6-12(7-9-13)19-14(20)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20)
InChIKeyCWMBZLMWSQFUGN-UHFFFAOYSA-N
XLogP4.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-(trifluoromethoxy)benzoate
CID 138483399
benzyl N-[3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]carbamate
CID 169472177
(1,1,1-trifluoro-3-phenylpropan-2-yl) N-[4-(trifluoromethoxy)phenyl]carbamate
CID 2740463
[4-(phenylmethoxycarbonylamino)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 15419132
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
benzyl N-(4-prop-2-enoxyphenyl)carbamate
CID 4952532
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7957132
benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400
benzyl N-(4-acetylphenyl)carbamate
CID 2994007
benzyl 3-[4-(trifluoromethoxy)phenyl]propanoate
CID 145346373
benzyl 2-[[4-(trifluoromethoxy)benzoyl]amino]acetate
CID 27898594

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(trifluoromethoxy)phenyl]carbamate?
The IUPAC name of benzyl N-[4-(trifluoromethoxy)phenyl]carbamate (CID 134102882) is benzyl N-[4-(trifluoromethoxy)phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-(trifluoromethoxy)phenyl]carbamate?
The canonical SMILES for benzyl N-[4-(trifluoromethoxy)phenyl]carbamate is O=C(Nc1ccc(OC(F)(F)F)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-(trifluoromethoxy)phenyl]carbamate?
The InChIKey is CWMBZLMWSQFUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3/c16-15(17,18)22-13-8-6-12(7-9-13)19-14(20)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20).
What are the key properties of benzyl N-[4-(trifluoromethoxy)phenyl]carbamate?
benzyl N-[4-(trifluoromethoxy)phenyl]carbamate has a molecular weight of 311.26 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(trifluoromethoxy)phenyl]carbamate is sourced from PubChem (CID 134102882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).