[2-tert-butyl-5-(trifluoromethyl)phenyl] carbamate

C12H14F3NO2 — CID 151784104

IUPAC[2-tert-butyl-5-(trifluoromethyl)phenyl] carbamate
SMILESCC(C)(C)c1ccc(C(F)(F)F)cc1OC(N)=O
InChIInChI=1S/C12H14F3NO2/c1-11(2,3)8-5-4-7(12(13,14)15)6-9(8)18-10(16)17/h4-6H,1-3H3,(H2,16,17)
InChIKeyRVFQOWFQYTVWJI-UHFFFAOYSA-N
MW261.24 g/mol
LogP3.46
Rot. Bonds1

About [2-tert-butyl-5-(trifluoromethyl)phenyl] carbamate

[2-tert-butyl-5-(trifluoromethyl)phenyl] carbamate (PubChem CID 151784104) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is [2-tert-butyl-5-(trifluoromethyl)phenyl] carbamate.

Molecular Properties

Compound Name[2-tert-butyl-5-(trifluoromethyl)phenyl] carbamate
PubChem CID151784104
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name[2-tert-butyl-5-(trifluoromethyl)phenyl] carbamate
SMILESCC(C)(C)c1ccc(C(F)(F)F)cc1OC(N)=O
InChIInChI=1S/C12H14F3NO2/c1-11(2,3)8-5-4-7(12(13,14)15)6-9(8)18-10(16)17/h4-6H,1-3H3,(H2,16,17)
InChIKeyRVFQOWFQYTVWJI-UHFFFAOYSA-N
XLogP3.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-chloro-4-(trifluoromethyl)phenyl] carbamate
CID 68755563
2-acetyloxy-4-(trifluoromethyl)benzenesulfonate
CID 101450936
2-methoxy-4-(trifluoromethyl)benzamide
CID 3788214
2-(2-methylprop-2-enoyloxy)-4-(trifluoromethyl)benzenesulfonate
CID 102393226
[3-(trifluoromethyl)phenyl] carbamate
CID 56614861
[2-(3,5-difluorophenyl)-4-(trifluoromethyl)phenyl] carbamate
CID 121375011
2-methoxy-4-(trifluoromethyl)benzoic acid
CID 3690873
(2-methylthiophen-3-yl) carbamate;2-methyl-5-(trifluoromethyl)benzoic acid
CID 175788644
2-(2,2-dimethylbutanoyloxy)-4-(trifluoromethyl)benzenesulfonate
CID 59503128
1-[2,5-bis(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-one
CID 146009239
2-[2-amino-4-(trifluoromethyl)phenyl]-2-methylpropanoyl chloride
CID 117047666
2-(2,5-ditert-butylphenoxy)-1,1,2,2-tetrafluoroethanesulfonic acid
CID 140904177

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-5-(trifluoromethyl)phenyl] carbamate?
The IUPAC name of [2-tert-butyl-5-(trifluoromethyl)phenyl] carbamate (CID 151784104) is [2-tert-butyl-5-(trifluoromethyl)phenyl] carbamate.
What is the SMILES notation for [2-tert-butyl-5-(trifluoromethyl)phenyl] carbamate?
The canonical SMILES for [2-tert-butyl-5-(trifluoromethyl)phenyl] carbamate is CC(C)(C)c1ccc(C(F)(F)F)cc1OC(N)=O.
What is the InChIKey of [2-tert-butyl-5-(trifluoromethyl)phenyl] carbamate?
The InChIKey is RVFQOWFQYTVWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-11(2,3)8-5-4-7(12(13,14)15)6-9(8)18-10(16)17/h4-6H,1-3H3,(H2,16,17).
What are the key properties of [2-tert-butyl-5-(trifluoromethyl)phenyl] carbamate?
[2-tert-butyl-5-(trifluoromethyl)phenyl] carbamate has a molecular weight of 261.24 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-5-(trifluoromethyl)phenyl] carbamate is sourced from PubChem (CID 151784104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).