methyl N-[2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamate

C10H9F4NO3 — CID 164584342

IUPACmethyl N-[2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamate
SMILESCOC(=O)Nc1cc(OC(F)(F)F)c(C)cc1F
InChIInChI=1S/C10H9F4NO3/c1-5-3-6(11)7(15-9(16)17-2)4-8(5)18-10(12,13)14/h3-4H,1-2H3,(H,15,16)
InChIKeyLKGZLCXJLRRBFG-UHFFFAOYSA-N
MW267.18 g/mol
LogP3.21
Rot. Bonds2

About methyl N-[2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamate

methyl N-[2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamate (PubChem CID 164584342) has the molecular formula C10H9F4NO3 and a molecular weight of 267.18 g/mol. Its IUPAC name is methyl N-[2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamate
PubChem CID164584342
Molecular FormulaC10H9F4NO3
Molecular Weight267.18 g/mol
Exact Mass267.05
IUPAC Namemethyl N-[2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamate
SMILESCOC(=O)Nc1cc(OC(F)(F)F)c(C)cc1F
InChIInChI=1S/C10H9F4NO3/c1-5-3-6(11)7(15-9(16)17-2)4-8(5)18-10(12,13)14/h3-4H,1-2H3,(H,15,16)
InChIKeyLKGZLCXJLRRBFG-UHFFFAOYSA-N
XLogP3.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.18
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamic acid
CID 175536008
bis[2-chloro-4-fluoro-5-(methoxycarbonylamino)phenyl] carbonate
CID 15766844
phenyl N-(5-ethoxy-2-fluoro-4-methylphenyl)carbamate
CID 164584343
tert-butyl N-(2-fluoro-4-hydroxy-5-methoxyphenyl)carbamate
CID 133080787
methyl N-(5-chloro-2-fluorophenyl)carbamate
CID 110778567
(2-fluoro-5-methoxy-4-methylphenyl)thiourea
CID 169358639
2-fluoro-5-methyl-4-(trifluoromethoxy)aniline
CID 130926046
methyl N-[2,6-dichloro-4-(trifluoromethoxy)-3-pyridinyl]carbamate
CID 132579428
methyl N-(2,4,5-trimethoxyphenyl)carbamate
CID 115190416
methyl N-[5-bromo-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]carbamate
CID 121278921
methyl N-[6-chloro-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]carbamate
CID 132579425
1-[2-bromo-5-methyl-4-(trifluoromethoxy)phenyl]ethanone
CID 171000680

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamate?
The IUPAC name of methyl N-[2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamate (CID 164584342) is methyl N-[2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamate.
What is the SMILES notation for methyl N-[2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamate?
The canonical SMILES for methyl N-[2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamate is COC(=O)Nc1cc(OC(F)(F)F)c(C)cc1F.
What is the InChIKey of methyl N-[2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamate?
The InChIKey is LKGZLCXJLRRBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO3/c1-5-3-6(11)7(15-9(16)17-2)4-8(5)18-10(12,13)14/h3-4H,1-2H3,(H,15,16).
What are the key properties of methyl N-[2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamate?
methyl N-[2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamate has a molecular weight of 267.18 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamate is sourced from PubChem (CID 164584342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).