[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl] carbamate

C15H12F3NO3 — CID 175149197

IUPAC[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl] carbamate
SMILESNC(=O)Oc1cccc(OCc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H12F3NO3/c16-15(17,18)13-7-2-1-4-10(13)9-21-11-5-3-6-12(8-11)22-14(19)20/h1-8H,9H2,(H2,19,20)
InChIKeyBWSWIVSUCHHIST-UHFFFAOYSA-N
MW311.26 g/mol
LogP3.74
Rot. Bonds4

About [3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl] carbamate

[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl] carbamate (PubChem CID 175149197) has the molecular formula C15H12F3NO3 and a molecular weight of 311.26 g/mol. Its IUPAC name is [3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl] carbamate.

Molecular Properties

Compound Name[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl] carbamate
PubChem CID175149197
Molecular FormulaC15H12F3NO3
Molecular Weight311.26 g/mol
Exact Mass311.08
IUPAC Name[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl] carbamate
SMILESNC(=O)Oc1cccc(OCc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H12F3NO3/c16-15(17,18)13-7-2-1-4-10(13)9-21-11-5-3-6-12(8-11)22-14(19)20/h1-8H,9H2,(H2,19,20)
InChIKeyBWSWIVSUCHHIST-UHFFFAOYSA-N
XLogP3.74
TPSA61.55 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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(2-fluorophenyl)methoxy]phenyl] carbamate
CID 175148405
ethyl 2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetate
CID 11974616
3-[[2-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 141490494
ethyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate
CID 30011094
4-[[2-(trifluoromethyl)phenyl]methoxy]benzene-1,2-diamine
CID 69306733
3-[[2-(trifluoromethyl)phenyl]methoxy]benzonitrile
CID 150029896
N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide
CID 86997534
tert-butyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate
CID 156784847
[3-(trifluoromethyl)phenyl] carbamate
CID 56614861
bis[[2-(trifluoromethyl)phenyl]methyl] benzene-1,2-dicarboxylate
CID 91754080
[3-[2-(trifluoromethyl)benzoyl]oxyphenyl] 2-(trifluoromethyl)benzoate
CID 91726272
1-[2-nitro-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]ethanone
CID 91863293

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl] carbamate?
The IUPAC name of [3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl] carbamate (CID 175149197) is [3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl] carbamate.
What is the SMILES notation for [3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl] carbamate?
The canonical SMILES for [3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl] carbamate is NC(=O)Oc1cccc(OCc2ccccc2C(F)(F)F)c1.
What is the InChIKey of [3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl] carbamate?
The InChIKey is BWSWIVSUCHHIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3/c16-15(17,18)13-7-2-1-4-10(13)9-21-11-5-3-6-12(8-11)22-14(19)20/h1-8H,9H2,(H2,19,20).
What are the key properties of [3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl] carbamate?
[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl] carbamate has a molecular weight of 311.26 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl] carbamate is sourced from PubChem (CID 175149197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).